Receptor
PDB id Resolution Class Description Source Keywords
2BOS 2 Å NON-ENZYME: TOXIN_VIRAL A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR ESCHERICHIA COLI TOXIN RECEPTOR BINDING PROTEIN-CARBOHYDRATE RECOGNITION SPECIFICITY
Ref.: A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR GB(3): STRUCTURE OF A GROUP II SHIGA-LIKE TOXIN WITH ALTERED BINDING SPECIFICITY. STRUCTURE FOLD.DES. V. 8 253 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLA GAL B:270;
E:570;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1O...
GLA GAL GLC A:170;
B:290;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1O...
GLA GAL GLC NBU A:190;
C:390;
E:590;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
560.546 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BOS 2 Å NON-ENZYME: TOXIN_VIRAL A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR ESCHERICHIA COLI TOXIN RECEPTOR BINDING PROTEIN-CARBOHYDRATE RECOGNITION SPECIFICITY
Ref.: A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR GB(3): STRUCTURE OF A GROUP II SHIGA-LIKE TOXIN WITH ALTERED BINDING SPECIFICITY. STRUCTURE FOLD.DES. V. 8 253 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 2BOS - GLA GAL GLC n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2BOS - GLA GAL GLC n/a n/a
2 1QNU - GAL GAL GLC EMB MEC n/a n/a
3 1CQF - GLA GAL BGC n/a n/a
4 1D1I - GLA GAL BGC n/a n/a
5 1D1K - GLA GAL GLC n/a n/a
6 1C4Q - GLA GAL BGC n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 2BOS - GLA GAL GLC n/a n/a
2 1QNU - GAL GAL GLC EMB MEC n/a n/a
3 1CQF - GLA GAL BGC n/a n/a
4 1D1I - GLA GAL BGC n/a n/a
5 1D1K - GLA GAL GLC n/a n/a
6 1C4Q - GLA GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLA GAL; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Ligand no: 2; Ligand: GLA GAL GLC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC 1 1
2 GLC GAL GAL 1 1
3 MAN MAN BMA BMA BMA BMA 1 1
4 CEX 1 1
5 MAN BMA BMA 1 1
6 CT3 1 1
7 MTT 1 1
8 BGC GLC GLC GLC 1 1
9 BGC BGC BGC GLC 1 1
10 GLC BGC GLC 1 1
11 CE8 1 1
12 MLR 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GAL GAL GAL 1 1
15 BGC GLC GLC GLC GLC GLC GLC 1 1
16 MT7 1 1
17 GLC BGC BGC 1 1
18 CEY 1 1
19 BMA BMA BMA 1 1
20 GLC BGC BGC BGC BGC BGC 1 1
21 MAN BMA BMA BMA BMA 1 1
22 GLC GLC BGC GLC GLC GLC GLC 1 1
23 B4G 1 1
24 BGC GLC GLC 1 1
25 GLC GLC BGC 1 1
26 GLC GLC GLC GLC GLC GLC GLC 1 1
27 DXI 1 1
28 GLC BGC BGC BGC BGC 1 1
29 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
30 GLC GLC GLC GLC GLC 1 1
31 CTT 1 1
32 BMA BMA BMA BMA BMA 1 1
33 BMA BMA BMA BMA BMA BMA 1 1
34 BGC GLC GLC GLC GLC 1 1
35 BMA MAN BMA 1 1
36 CE5 1 1
37 CTR 1 1
38 CE6 1 1
39 BGC BGC BGC BGC BGC BGC 1 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
41 BMA BMA BMA BMA BMA BMA MAN 0.916667 0.970588
42 MAN BMA BMA BMA BMA BMA 0.916667 0.970588
43 BGC BMA 0.909091 1
44 LBT 0.909091 1
45 LAT 0.909091 1
46 GLC BGC 0.909091 1
47 GAL GLC 0.909091 1
48 BGC GAL 0.909091 1
49 MAB 0.909091 1
50 GLA GLA 0.909091 1
51 BMA GAL 0.909091 1
52 B2G 0.909091 1
53 N9S 0.909091 1
54 BGC GLC 0.909091 1
55 CBK 0.909091 1
56 GLA GAL 0.909091 1
57 BMA BMA 0.909091 1
58 GLC GAL 0.909091 1
59 CBI 0.909091 1
60 GAL BGC 0.909091 1
61 MAL MAL 0.909091 0.970588
62 MAL 0.909091 1
63 BGC BGC BGC BGC 0.830189 1
64 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
65 LAT GLA 0.765957 1
66 BMA BMA GLA BMA BMA 0.758621 1
67 GLA GAL GAL 0.754717 1
68 GLA GAL BGC 0.754717 1
69 GLC GLC GLC BGC 0.741379 1
70 BGC BGC GLC 0.735849 1
71 GLC GLC GLC GLC GLC GLC 0.677966 1
72 DR5 0.653846 0.942857
73 MMA MAN 0.653846 0.942857
74 NGA GAL BGC 0.650794 0.733333
75 GLA EGA 0.648148 0.942857
76 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
77 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
79 ABD 0.637681 0.75
80 GAL NGA GLA BGC GAL 0.628571 0.733333
81 GLC GLC XYP 0.622951 1
82 GLA GAL BGC 5VQ 0.62069 0.891892
83 GLC GLC BGC XYS BGC XYS 0.617647 0.942857
84 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
85 BGC BGC XYS BGC 0.61194 0.942857
86 MAL EDO 0.607143 0.942857
87 U63 0.6 0.891892
88 BGC BGC BGC XYS GAL 0.6 0.942857
89 NGA GLA GAL BGC 0.591549 0.733333
90 GLA GAL GLC NBU 0.590164 0.846154
91 M3M 0.584906 1
92 MAN GLC 0.584906 1
93 LB2 0.584906 1
94 GLC GAL NAG GAL 0.577465 0.733333
95 BGC GLA GAL FUC 0.573529 0.970588
96 OXZ BGC BGC 0.571429 0.6875
97 GAL FUC 0.571429 0.941176
98 GAL NAG GAL BGC 0.571429 0.733333
99 G2I 0.571429 0.767442
100 BGC GAL FUC 0.571429 0.970588
101 BMA BMA MAN 0.571429 0.970588
102 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.785714
103 GLC GAL FUC 0.571429 0.970588
104 G3I 0.571429 0.767442
105 FUC LAT 0.571429 0.970588
106 BGC GAL NAG GAL 0.571429 0.733333
107 LAT FUC 0.571429 0.970588
108 FUC GAL GLC 0.571429 0.970588
109 LAT NAG GAL 0.571429 0.733333
110 2M4 0.566038 1
111 MAN MAN 0.566038 1
112 BGC BGC 0.566038 1
113 SGA BGC 0.559322 0.702128
114 GLC GLC XYS 0.553846 0.970588
115 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
116 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
117 SOR GLC GLC GLC 0.545455 0.970588
118 LAG 0.545455 0.6
119 ACR GLC GLC GLC 0.54321 0.733333
120 ARE 0.54321 0.733333
121 GLC GLC DAF BGC 0.54321 0.733333
122 GLC GLC ACI G6D GLC GLC 0.54321 0.733333
123 GLC GLC AGL HMC GLC 0.54321 0.733333
124 AAO 0.54321 0.733333
125 BGC BGC G2F SHG 0.542857 0.846154
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
128 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
129 NLC 0.540984 0.733333
130 5GO 0.540984 0.66
131 GAL NDG 0.540984 0.733333
132 NDG GAL 0.540984 0.733333
133 GLC GLC GLC G6D ADH GLC 0.536585 0.6875
134 GLC GLC FRU 0.536232 0.868421
135 GAL BGC BGC XYS 0.536232 0.942857
136 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
137 GLC BGC BGC BGC 0.534483 1
138 DEL 0.534483 0.970588
139 BGC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC 0.534483 1
141 BGC BGC BGC GLC BGC BGC 0.534483 1
142 BGC BGC BGC ASO BGC BGC ASO 0.534483 1
143 MVP 0.533333 0.733333
144 TRE 0.531915 1
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.526316 0.916667
146 BMA MAN 0.526316 0.914286
147 BMA MAN MAN 0.52459 1
148 DMU 0.523077 0.785714
149 LMT 0.523077 0.785714
150 LMU 0.523077 0.785714
151 UMQ 0.523077 0.785714
152 NAG GAL BGC 0.521127 0.733333
153 GLC ACI GLD GLC 0.519481 0.785714
154 GLC G6D ACI GLC 0.519481 0.785714
155 GLC G6D ADH GLC 0.519481 0.785714
156 GLC ACI G6D BGC 0.519481 0.785714
157 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
158 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
159 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
160 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
161 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
162 FUC BGC GAL 0.515625 0.970588
163 SOR GLC GLC 0.515152 0.970588
164 RCB 0.514286 0.622642
165 GAL BGC NAG GAL 0.513889 0.733333
166 GAL GAL GLC EMB MEC 0.512195 0.622642
167 GLA MBG 0.509091 0.942857
168 6UZ 0.5 0.846154
169 GAC 0.5 0.767442
170 ACI GLD GLC GAL 0.5 0.785714
171 GLC AGL GLC HMC 0.5 0.717391
172 GAL GAL SO4 0.5 0.702128
173 GLO GLC GLC GLC 0.5 0.942857
174 DAF GLC GLC 0.5 0.785714
175 TXT 0.5 0.767442
176 MAN MAN BMA 0.5 1
177 DAF BGC GLC 0.5 0.785714
178 GLC GLC GLC PO4 SGC GLC 0.5 0.673469
179 GLC ACI GLD GAL 0.493827 0.733333
180 QV4 0.493827 0.733333
181 GLC ACI G6D GLC 0.493827 0.733333
182 NPJ 0.485714 0.622642
183 ACR 0.481013 0.733333
184 QPS 0.481013 0.733333
185 4MU BGC BGC BGC BGC 0.480519 0.767442
186 GAL NAG MAN 0.478873 0.733333
187 MAN NAG GAL 0.478873 0.733333
188 DOM 0.474576 0.942857
189 GLO GLC GLC 0.472222 0.942857
190 MAN BMA NAG 0.471429 0.733333
191 10M 0.471429 0.733333
192 GLA GAL NAG 0.471429 0.733333
193 NAG GAL GAL 0.471429 0.733333
194 8VZ 0.46875 0.673469
195 ACR GLC 0.468354 0.733333
196 ACR GLC GLC GLC GLC 0.468354 0.733333
197 FMO 0.467742 0.868421
198 4MU BGC BGC 0.467532 0.767442
199 MGL SGC GLC GLC 0.465753 0.868421
200 CM5 0.465753 0.891892
201 BGC BGC SGC MGL 0.465753 0.868421
202 NAG GAL GAL NAG GAL 0.460526 0.6875
203 CGC 0.460317 0.941176
204 MA4 0.459459 0.891892
205 5QP 0.459016 0.885714
206 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.75
207 ACI G6D GLC ACI G6D BGC 0.457831 0.75
208 ACI GLD GLC ACI G6D BGC 0.457831 0.75
209 AC1 GLC AC1 BGC 0.457831 0.75
210 DAF GLC DAF GLC GLC 0.457831 0.75
211 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.75
212 GAL MBG 0.457627 0.942857
213 RZM 0.457627 0.688889
214 M13 0.457627 0.942857
215 MDM 0.457627 0.942857
216 LSE 0.457143 0.6875
217 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
218 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.680851
219 MAN MNM 0.451613 0.75
220 GTM BGC BGC 0.450704 0.868421
221 MAN MAN MAN MAN 0.449275 1
222 MAN MAN BMA MAN 0.449275 1
223 ACG 0.448276 0.695652
224 GLC GLC GLC GLC 0.447761 1
225 NAG BMA 0.447761 0.653061
226 FUC GAL NAG GAL BGC 0.447059 0.717391
227 GAL A2G 0.446154 0.733333
228 GAL NGA 0.446154 0.733333
229 A2G GAL 0.446154 0.733333
230 NOJ GLC 0.444444 0.727273
231 MAN BMA MAN MAN MAN 0.442857 1
232 M5S 0.442857 1
233 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
234 NAG GAL GAL NAG 0.441558 0.6875
235 MAN MAN MAN GLC 0.441176 1
236 GLA GLC 0.440678 1
237 LAK 0.440678 1
238 MLB 0.440678 1
239 BMA GLA 0.440678 1
240 GLA BMA 0.440678 1
241 BGC GLA 0.440678 1
242 MAN BMA 0.440678 1
243 GLA BGC 0.440678 1
244 GAL GAL 0.440678 1
245 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
246 TM6 0.438356 0.916667
247 ABL 0.4375 0.702128
248 BMA FRU 0.435484 0.842105
249 FRU GAL 0.435484 0.842105
250 NOY BGC 0.435484 0.75
251 DAF GLC 0.434211 0.785714
252 DAF BGC 0.434211 0.785714
253 FUC GAL GLA 0.432836 0.970588
254 FUC GLA GLA 0.432836 0.970588
255 GAL GAL FUC 0.432836 0.970588
256 GLA GLA FUC 0.432836 0.970588
257 GLA GAL FUC 0.432836 0.970588
258 A2G GAL BGC FUC 0.428571 0.717391
259 BGC OXZ 0.428571 0.666667
260 ISX 0.428571 0.761905
261 BMA IFM 0.428571 0.744186
262 IFM BGC 0.428571 0.744186
263 VAM 0.428571 0.868421
264 9MR 0.428571 0.744186
265 IFM BMA 0.428571 0.744186
266 GLF B8D 0.428571 0.775
267 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
268 7SA 0.426966 0.702128
269 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
270 MAN MAN MAN BMA MAN 0.426667 1
271 GLC GLC GLC 0.42623 1
272 GLC GLC GLC GLC BGC 0.42623 1
273 GLC GLC GLC GLC GLC BGC 0.42623 1
274 MAN MAN MAN 0.42623 1
275 GLC GLC XYS XYS 0.422535 0.914286
276 GLC DMJ 0.421875 0.727273
277 BMA BMA BMA BMA GLA BMA GLA 0.420455 0.846154
278 GCS GCS 0.419355 0.804878
279 PA1 GCS 0.419355 0.804878
280 3SA 0.417722 0.733333
281 HMC AGL GLC 0.417722 0.717391
282 BGC 0.416667 0.848485
283 GLC 0.416667 0.848485
284 GLA 0.416667 0.848485
285 XZZ BGC BGC 0.416667 0.702128
286 6SA 0.416667 0.733333
287 GIV 0.416667 0.848485
288 GXL 0.416667 0.848485
289 BMA 0.416667 0.848485
290 ALL 0.416667 0.848485
291 WOO 0.416667 0.848485
292 MAN 0.416667 0.848485
293 GAL 0.416667 0.848485
294 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.702128
295 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.702128
296 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.702128
297 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.702128
298 GAL NAG GAL 0.415584 0.702128
299 GCS GCS GCS GCS GCS GCS 0.415385 0.804878
300 GCS GCS GCS 0.415385 0.804878
301 GCS GCS GCS GCS GCS 0.415385 0.804878
302 P3M 0.414286 0.767442
303 MAN DGO 0.412698 0.914286
304 NAG NDG BMA 0.410256 0.634615
305 NAG NAG BMA 0.410256 0.634615
306 T6P 0.409836 0.767442
307 NAG MAN GAL MAN MAN NAG GAL 0.409091 0.6875
308 FUC BGC GAL NAG GAL 0.409091 0.717391
309 AMG 0.403846 0.857143
310 MBG 0.403846 0.857143
311 GYP 0.403846 0.857143
312 MMA 0.403846 0.857143
313 MAN 7D1 0.403226 0.888889
314 GAL MGC 0.402985 0.702128
315 GAL NGA A2G 0.402778 0.673469
316 MGL SGC BGC BGC 0.402299 0.622642
317 AGL GLC HMC AGL GLC BGC 0.402174 0.680851
318 FUC NDG GAL 0.4 0.717391
319 BGC BGC XYS BGC XYS GAL 0.4 0.916667
320 A2G GAL NAG FUC GAL GLC 0.4 0.673469
321 MBG A2G 0.4 0.702128
322 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.916667
323 GLC GAL NAG GAL FUC A2G 0.4 0.673469
324 AHR 0.4 0.742857
325 FUB 0.4 0.742857
326 A2G MBG 0.4 0.702128
327 RIB 0.4 0.742857
328 GAL NAG FUC 0.4 0.717391
329 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.4 0.916667
330 GAL NDG FUC 0.4 0.717391
331 32O 0.4 0.742857
332 FUC NAG GAL 0.4 0.717391
333 Z6J 0.4 0.742857
Ligand no: 3; Ligand: GLA GAL GLC NBU; Similar ligands found: 175
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC NBU 1 1
2 GLA GAL BGC 5VQ 0.807018 0.948718
3 LMT 0.8 0.928571
4 LMU 0.8 0.928571
5 DMU 0.8 0.928571
6 UMQ 0.8 0.928571
7 MAL EDO 0.706897 0.85
8 GLA EGA 0.689655 0.897436
9 6UZ 0.656716 0.813953
10 DEG 0.654545 0.923077
11 LAT GLA 0.642857 0.846154
12 CM5 0.611111 0.853659
13 MA4 0.60274 0.853659
14 GLC GLC GLC GLC GLC GLC GLC GLC 0.590164 0.846154
15 BMA BMA BMA BMA BMA BMA 0.590164 0.846154
16 MT7 0.590164 0.846154
17 CE8 0.590164 0.846154
18 GLC BGC GLC 0.590164 0.846154
19 GLC BGC BGC BGC BGC 0.590164 0.846154
20 MAN BMA BMA 0.590164 0.846154
21 BMA MAN BMA 0.590164 0.846154
22 CE5 0.590164 0.846154
23 GLA GAL GLC 0.590164 0.846154
24 CE6 0.590164 0.846154
25 BGC BGC BGC BGC BGC BGC 0.590164 0.846154
26 BGC BGC BGC GLC 0.590164 0.846154
27 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.590164 0.846154
28 BGC GLC GLC GLC 0.590164 0.846154
29 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.590164 0.846154
30 GAL GAL GAL 0.590164 0.846154
31 BGC GLC GLC GLC GLC GLC GLC 0.590164 0.846154
32 GLC GLC BGC GLC GLC GLC GLC 0.590164 0.846154
33 CT3 0.590164 0.846154
34 GLC BGC BGC BGC BGC BGC 0.590164 0.846154
35 DXI 0.590164 0.846154
36 CEX 0.590164 0.846154
37 BMA BMA BMA BMA BMA 0.590164 0.846154
38 MAN BMA BMA BMA BMA 0.590164 0.846154
39 B4G 0.590164 0.846154
40 GLC GAL GAL 0.590164 0.846154
41 MAN MAN BMA BMA BMA BMA 0.590164 0.846154
42 GLC GLC GLC GLC GLC GLC GLC 0.590164 0.846154
43 BGC GLC GLC GLC GLC 0.590164 0.846154
44 CTT 0.590164 0.846154
45 GLC GLC BGC 0.590164 0.846154
46 BGC GLC GLC 0.590164 0.846154
47 MTT 0.590164 0.846154
48 MLR 0.590164 0.846154
49 GLC BGC BGC 0.590164 0.846154
50 GLC GLC GLC GLC GLC 0.590164 0.846154
51 BMA BMA BMA 0.590164 0.846154
52 CTR 0.590164 0.846154
53 CEY 0.590164 0.846154
54 GLC GLC GLC GLC GLC GLC 0.588235 0.846154
55 MMA MAN 0.583333 0.85
56 DR5 0.583333 0.85
57 MAN BMA BMA BMA BMA BMA 0.578125 0.825
58 BMA BMA BMA BMA BMA BMA MAN 0.578125 0.825
59 BGC BGC GLC 0.553846 0.846154
60 BOG 0.548387 0.880952
61 BNG 0.548387 0.880952
62 HSJ 0.548387 0.880952
63 GLC HEX 0.540984 0.857143
64 HEX GLC 0.540984 0.857143
65 JZR 0.540984 0.857143
66 BHG 0.540984 0.857143
67 10M 0.534247 0.866667
68 KGM 0.532258 0.880952
69 B7G 0.532258 0.880952
70 BGC GLC 0.52459 0.846154
71 GLA GLA 0.52459 0.846154
72 N9S 0.52459 0.846154
73 GAL GLC 0.52459 0.846154
74 BGC BMA 0.52459 0.846154
75 BGC GAL 0.52459 0.846154
76 MAB 0.52459 0.846154
77 GLC GAL 0.52459 0.846154
78 BMA BMA 0.52459 0.846154
79 CBK 0.52459 0.846154
80 GLA GAL 0.52459 0.846154
81 BMA GAL 0.52459 0.846154
82 LBT 0.52459 0.846154
83 B2G 0.52459 0.846154
84 GLC BGC 0.52459 0.846154
85 CBI 0.52459 0.846154
86 MAL 0.52459 0.846154
87 MAL MAL 0.52459 0.825
88 LAT 0.52459 0.846154
89 GAL BGC 0.52459 0.846154
90 G3I 0.521127 0.673469
91 G2I 0.521127 0.673469
92 LSE 0.520548 0.74
93 BMA BMA GLA BMA BMA 0.520548 0.846154
94 OPM MAN MAN 0.52 0.951219
95 BGC BGC BGC BGC BGC BGC BGC BGC 0.514286 0.846154
96 BGC BGC BGC BGC 0.514286 0.846154
97 G2F BGC BGC BGC BGC BGC 0.514286 0.75
98 GAL BGC NAG GAL 0.512821 0.68
99 GLC GLC GLC BGC 0.506849 0.846154
100 AFO 0.5 0.795455
101 GLC GLC XYP 0.5 0.846154
102 OXZ BGC BGC 0.5 0.611111
103 GLC GLC XYS 0.486486 0.825
104 LAT SPH OLA 0.483146 0.722222
105 LAT SPH DAO 0.483146 0.722222
106 SOR GLC GLC GLC 0.48 0.825
107 FK9 0.470588 0.795455
108 MVP 0.463768 0.647059
109 GLA MBG 0.460317 0.85
110 GLA GAL GAL 0.457143 0.846154
111 GLA GAL BGC 0.457143 0.846154
112 BGB 0.45679 0.906977
113 SOR GLC GLC 0.453333 0.825
114 BGC 18C GAL 0.452632 0.696429
115 LAT SPH OCA 0.452632 0.696429
116 ABD 0.452381 0.693878
117 MGL SGC GLC GLC 0.45 0.790698
118 BGC BGC SGC MGL 0.45 0.790698
119 U63 0.447761 0.767442
120 TRE 0.446429 0.846154
121 GLO GLC GLC GLC 0.444444 0.804878
122 BGC BGC G2F SHG 0.444444 0.733333
123 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.440476 0.804878
124 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.440476 0.804878
125 BGC BGC BGC XYS BGC BGC 0.440476 0.804878
126 BGC BGC 0.4375 0.846154
127 2M4 0.4375 0.846154
128 MAN MAN 0.4375 0.846154
129 GTM BGC BGC 0.435897 0.790698
130 BHE 0.435897 0.906977
131 BMA MAN 0.432836 0.780488
132 LB2 0.430769 0.846154
133 M3M 0.430769 0.846154
134 MAN GLC 0.430769 0.846154
135 GAL NDG 0.430556 0.68
136 8VZ 0.430556 0.62963
137 NLC 0.430556 0.68
138 NDG GAL 0.430556 0.68
139 NGA GAL BGC 0.43038 0.68
140 4MU BGC BGC BGC BGC 0.430233 0.708333
141 GAL NGA GLA BGC GAL 0.430233 0.68
142 4YA 0.428571 0.906977
143 FUC BHG 0.428571 0.906977
144 BHG FUC 0.428571 0.906977
145 GLC GLC G6D ACI GLC GLC GLC 0.428571 0.723404
146 GAL FUC 0.426471 0.846154
147 BMA BMA MAN 0.426471 0.825
148 GLO GLC GLC 0.419753 0.804878
149 DR4 0.418919 0.795455
150 XNS 0.418919 0.795455
151 4MU BGC BGC 0.418605 0.708333
152 MDM 0.41791 0.85
153 M13 0.41791 0.85
154 GAL MBG 0.41791 0.85
155 LGN 0.417476 0.696429
156 IGC 0.417476 0.696429
157 GLC GLC BGC XYS BGC XYS 0.416667 0.804878
158 GAL GAL GLC EMB MEC 0.414894 0.672727
159 VAM 0.414286 0.790698
160 DOM 0.411765 0.804878
161 BGC BGC XYS BGC 0.409639 0.804878
162 MAN NAG GAL 0.407407 0.68
163 AOG FUC 0.407407 0.76
164 GAL NAG MAN 0.407407 0.68
165 BGC BGC BGC XYS GAL 0.406977 0.804878
166 ERA BGC GAL 0.40566 0.684211
167 NGA GLA GAL BGC 0.402299 0.68
168 5QP 0.4 0.756098
169 BGC BGC BGC 0.4 0.846154
170 BGC BGC BGC ASO BGC BGC ASO 0.4 0.846154
171 GLC BGC BGC BGC 0.4 0.846154
172 GLC BGC BGC BGC BGC BGC BGC 0.4 0.846154
173 BGC BGC BGC BGC BGC 0.4 0.846154
174 AIG FUC 0.4 0.76
175 BGC BGC BGC GLC BGC BGC 0.4 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BOS; Ligand: GLA GAL GLC NBU; Similar sites found: 296
This union binding pocket(no: 1) in the query (biounit: 2bos.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AHW CMP 0.00024 0.50803 None
2 2YYY NAP 0.002135 0.47411 None
3 1T57 FMN 0.001669 0.47399 None
4 4POO SAM 0.002123 0.46338 None
5 1I9G SAM 0.002462 0.45521 None
6 3HGM ATP 0.002742 0.45489 None
7 1E6E FAD 0.007597 0.45124 None
8 4MO2 FDA 0.00859 0.4491 None
9 1V2X SAM 0.004519 0.44829 None
10 1L3I SAH 0.00457 0.44778 None
11 1MJH ATP 0.003471 0.44737 None
12 1FL2 FAD 0.01258 0.44321 None
13 4D42 W0I 0.01722 0.44284 None
14 4D42 NAP 0.01722 0.44284 None
15 2GVC FAD 0.007435 0.44259 None
16 5GT9 NAP 0.00709 0.4414 None
17 1RM4 NDP 0.005928 0.44122 None
18 1E1M FAD 0.01643 0.43776 None
19 4CNG SAH 0.009553 0.43625 None
20 3NK7 SAM 0.006829 0.43429 None
21 1RP0 AHZ 0.01104 0.43357 None
22 4D7E FAD 0.016 0.43171 None
23 2RAB NAD 0.0314 0.43112 None
24 2RAB FAD 0.01931 0.43112 None
25 1OMO NAD 0.006091 0.42971 None
26 4MNS 2AX 0.02339 0.42958 None
27 4L8V NAP 0.01138 0.42878 None
28 2WJH FLC 0.008822 0.42742 None
29 3ICS ADP 0.005739 0.42635 None
30 5TWJ SAM 0.01062 0.42432 None
31 2DBZ NAP 0.01389 0.42364 None
32 4BUZ NAD 0.01461 0.42357 None
33 4BUZ OAD 0.01695 0.42357 None
34 4BUZ OCZ 0.01695 0.42357 None
35 3IHG FAD 0.01584 0.42325 None
36 1WK8 VMS 0.007139 0.4212 None
37 3A0T ADP 0.01456 0.42095 None
38 1ZH8 NAP 0.01634 0.42078 None
39 3NDJ JHZ 0.02786 0.41949 None
40 2FKA BEF 0.005823 0.41912 None
41 5T9F TYR 0.0336 0.41906 None
42 1S7G APR 0.02294 0.4186 None
43 3HP8 SUC 0.006506 0.41796 None
44 5T67 JHZ 0.04735 0.4177 None
45 3LF0 ATP 0.01424 0.41747 None
46 2BKA NDP 0.02257 0.41694 None
47 4UP3 NDP 0.0158 0.41658 None
48 5T67 SAH 0.04344 0.41624 None
49 4JAL SAH 0.01353 0.41595 None
50 5T9E NAP 0.02741 0.41594 None
51 1T26 NAI 0.02773 0.41577 None
52 3DUW SAH 0.01275 0.41575 None
53 3ICT ADP 0.008053 0.41571 None
54 5THQ NDP 0.02375 0.41544 None
55 5IDM ANP 0.01716 0.41515 None
56 1YC5 NCA 0.02082 0.41447 None
57 5KZD RCJ 0.01194 0.41414 None
58 5L95 AMP 0.02185 0.4129 None
59 3OII SAH 0.01465 0.41211 None
60 4YEF 4CQ 0.04205 0.41194 None
61 4XUC SAM 0.03442 0.41165 None
62 4XUC 43G 0.03442 0.41165 None
63 1NXJ TLA 0.009819 0.41072 None
64 5BVA FAD 0.04139 0.41012 None
65 2HK9 NAP 0.02761 0.41005 None
66 4K47 WMP 0.01323 0.40883 None
67 5AHO TLA 0.00574 0.40799 None
68 2QQF A1R 0.02772 0.40778 None
69 2HNK SAH 0.01771 0.40743 None
70 1DSS NAD 0.03519 0.40678 None
71 4RRG A3T 0.02052 0.4063 None
72 2ZIF SAM 0.01934 0.40587 None
73 3GRU AMP 0.03048 0.40579 None
74 1JCM 137 0.0205 0.40571 None
75 3NT6 FAD 0.04103 0.40541 None
76 2WFG ZZB 0.02399 0.40483 None
77 1EDO NAP 0.03842 0.4043 None
78 3TKA SAM 0.02052 0.40384 None
79 5N5D SAM 0.02055 0.40345 None
80 3BBD SAH 0.01985 0.40231 None
81 5LOG SAH 0.02236 0.40158 None
82 1MAI I3P 0.013 0.40132 None
83 4RT1 C2E 0.02256 0.40091 None
84 5T9F NAP 0.04794 0.40055 None
85 2BTO GTP 0.004637 0.45445 1.05708
86 2DKH FAD 0.01059 0.43681 2.94118
87 2DKH 3HB 0.01354 0.43681 2.94118
88 1UXG NAD 0.0213 0.42472 2.94118
89 3WLE NAD 0.01968 0.41435 2.94118
90 3RIY NAD 0.02604 0.41305 2.94118
91 5BW4 SAM 0.01284 0.41126 2.94118
92 5AZ1 NDP 0.03922 0.4086 2.94118
93 1S4P GDP 0.0003224 0.40737 2.94118
94 5EZ7 FAD 0.04767 0.40633 2.94118
95 1P0F NAP 0.03426 0.40217 2.94118
96 1F06 2NP 0.00918 0.44372 4.41176
97 1F06 NDP 0.00918 0.44372 4.41176
98 1RYI FAD 0.01839 0.43173 4.41176
99 2V0C ANZ 0.00698 0.42981 4.41176
100 5E72 SAM 0.01168 0.4242 4.41176
101 1NHX FTB 0.02783 0.42345 4.41176
102 1NHX PEP 0.02693 0.42345 4.41176
103 5U5G NAP 0.02032 0.42028 4.41176
104 2BO4 FLC 0.01903 0.41792 4.41176
105 3GGO NAI 0.02958 0.41686 4.41176
106 3GGO ENO 0.02958 0.41686 4.41176
107 1CDO NAD 0.01759 0.41554 4.41176
108 1SC6 NAD 0.02134 0.41089 4.41176
109 2YX1 SFG 0.0135 0.408 4.41176
110 5I7A 68Q 0.0326 0.40556 4.41176
111 5UAV TFB 0.03374 0.40287 4.41176
112 5UAV NDP 0.03243 0.40287 4.41176
113 2D2I NAP 0.02997 0.40255 4.41176
114 2EV9 SKM 0.03381 0.40176 4.41176
115 2EV9 NAP 0.03381 0.40176 4.41176
116 1Q19 APC 0.0001563 0.52453 5.88235
117 4L2I NAD 0.00062 0.52329 5.88235
118 4TM3 FAD 0.001648 0.51329 5.88235
119 1I8T FAD 0.007524 0.45397 5.88235
120 4XDZ NDP 0.003761 0.44972 5.88235
121 5A3B APR 0.01136 0.43457 5.88235
122 3ETG NDP 0.03935 0.41538 5.88235
123 2VHW NAI 0.04403 0.40198 5.88235
124 5E4R NAP 0.03579 0.40104 5.88235
125 4UUG PXG 0.001584 0.47722 7.35294
126 4YRY NAD 0.004871 0.46876 7.35294
127 2PWY SAH 0.002696 0.45714 7.35294
128 4YRY FAD 0.007325 0.45678 7.35294
129 4JBI NDP 0.004277 0.45354 7.35294
130 3ZF8 GDP 0.001599 0.45308 7.35294
131 2FNU PMP UD1 0.006667 0.44976 7.35294
132 3CTY FAD 0.0129 0.44196 7.35294
133 5LYH 7B8 0.009135 0.43562 7.35294
134 5LUB 3Y7 0.002363 0.43544 7.35294
135 5G3U FDA 0.01469 0.43332 7.35294
136 5A07 GDP 0.0001365 0.43005 7.35294
137 1PL6 572 0.01503 0.4263 7.35294
138 1PL6 NAD 0.008539 0.42627 7.35294
139 1NVT NAP 0.01585 0.42128 7.35294
140 2V3A FAD 0.03264 0.42 7.35294
141 1H9A NAP 0.02314 0.41985 7.35294
142 5BUK FAD 0.03026 0.4181 7.35294
143 1PN0 IPH 0.03237 0.41737 7.35294
144 1PN0 FAD 0.03147 0.41737 7.35294
145 2AE2 PTO 0.02912 0.41573 7.35294
146 2AE2 NAP 0.02912 0.41573 7.35294
147 2C5S AMP 0.0007369 0.41525 7.35294
148 3SJ7 NDP 0.02296 0.41484 7.35294
149 1X87 NAD 0.02556 0.41241 7.35294
150 4JK3 NAD 0.03168 0.41014 7.35294
151 5VW2 FDA 0.04755 0.40947 7.35294
152 5VW2 NAP 0.04755 0.40947 7.35294
153 2BZG SAH 0.01618 0.4074 7.35294
154 3VC1 SAH 0.04631 0.40726 7.35294
155 1NVM NAD 0.03613 0.40411 7.35294
156 3U4C NDP 0.02919 0.40319 7.35294
157 4K81 GTP 0.04451 0.40191 7.35294
158 1CF2 NAP 0.003407 0.45988 8.82353
159 2ZKJ ADP 0.007957 0.45095 8.82353
160 2WPF FAD 0.02686 0.45029 8.82353
161 1RSG FAD 0.0132 0.43816 8.82353
162 2WPF WPF 0.04393 0.43677 8.82353
163 1YY5 FAD 0.01501 0.43655 8.82353
164 3AD8 NAD 0.01428 0.43444 8.82353
165 4J36 1HR 0.01395 0.43306 8.82353
166 5AGR A52 0.006394 0.43167 8.82353
167 4NTC FAD 0.02332 0.42883 8.82353
168 4J36 FAD 0.01114 0.4284 8.82353
169 5A04 BGC 0.04043 0.42792 8.82353
170 5A04 NDP 0.03604 0.42792 8.82353
171 4GCZ ADP 0.01302 0.42292 8.82353
172 5M67 NAD 0.03816 0.41028 8.82353
173 5F7J ADE 0.01422 0.40924 8.82353
174 5M67 ADE 0.03997 0.40876 8.82353
175 5M67 3D1 0.04166 0.40752 8.82353
176 5EJL C2E 0.01436 0.40571 8.82353
177 5DJH AMP 0.01889 0.40512 8.82353
178 1F74 NAY 0.01747 0.40508 8.82353
179 2VT3 ATP 0.01109 0.40483 8.82353
180 1O94 AMP 0.0005888 0.49068 10.2941
181 3F8D FAD 0.008122 0.47382 10.2941
182 1UP7 NAD 0.003987 0.45593 10.2941
183 2OQ2 A3P 0.003152 0.45446 10.2941
184 5MPT SAH 0.003082 0.45236 10.2941
185 3HVJ 705 0.008103 0.44678 10.2941
186 5TUK FAD 0.004512 0.44636 10.2941
187 4BV6 FAD 0.01236 0.44143 10.2941
188 4TXI FAD 0.009824 0.4389 10.2941
189 1AE1 NAP 0.01051 0.43685 10.2941
190 3UOY FAD 0.03842 0.4326 10.2941
191 3UOY NAP 0.03842 0.4326 10.2941
192 4PIV NDP 0.01661 0.42882 10.2941
193 5CUQ NSC 0.01283 0.42876 10.2941
194 5KMS NAD 0.03417 0.42861 10.2941
195 5FJN FAD 0.02048 0.42773 10.2941
196 5FJN BE2 0.02254 0.42773 10.2941
197 1Q9I TEO 0.03284 0.42524 10.2941
198 2BRY FAD 0.02015 0.41686 10.2941
199 5I39 FAD 0.03183 0.41308 10.2941
200 2RGO FAD 0.03724 0.40884 10.2941
201 2R4J 13P 0.04988 0.40755 10.2941
202 5KJW 53C 0.006727 0.40684 10.2941
203 4UCI GTP 0.02818 0.40379 10.2941
204 3JWH SAH 0.01988 0.40374 10.2941
205 3VSE SAH 0.01504 0.40182 10.2941
206 3G6K POP 0.003837 0.46458 11.7647
207 3G6K FAD 0.004254 0.46458 11.7647
208 1GPM AMP 0.0005445 0.46052 11.7647
209 3ZNN FAD 0.02762 0.439 11.7647
210 4CNK FAD 0.0161 0.43561 11.7647
211 4RPL 3UC 0.03365 0.43524 11.7647
212 5ULP KB1 0.00885 0.42853 11.7647
213 4MIG G3F 0.02461 0.42828 11.7647
214 3CGD COA 0.03489 0.42813 11.7647
215 3CGD NAD 0.03489 0.42813 11.7647
216 3CGD FAD 0.03489 0.42813 11.7647
217 2OWZ F6P 0.007069 0.42463 11.7647
218 1GKZ ADP 0.01004 0.4238 11.7647
219 4IF4 BEF 0.004205 0.42319 11.7647
220 5TTJ FAD 0.02933 0.41913 11.7647
221 2CDU ADP 0.01004 0.4143 11.7647
222 2CDU FAD 0.02301 0.41426 11.7647
223 3L9W AMP 0.02434 0.41377 11.7647
224 4USQ FAD 0.03547 0.40938 11.7647
225 4NMC 2OP 0.04297 0.40793 11.7647
226 3L9W GSH 0.03241 0.40569 11.7647
227 3QWI NAP 0.04003 0.40505 11.7647
228 1WDK NAD 0.0007789 0.4816 13.2353
229 1P9P SAH 0.002115 0.46792 13.2353
230 4N1T 2GD 0.005638 0.45681 13.2353
231 1CT9 AMP 0.00221 0.4427 13.2353
232 1H6C NDP 0.0127 0.43387 13.2353
233 4EIP FAD 0.02908 0.42248 13.2353
234 4EIP K2C 0.02908 0.42248 13.2353
235 1XTP SAI 0.01083 0.42038 13.2353
236 1H6C SIN 0.03039 0.42033 13.2353
237 4X7G 3Y8 0.03603 0.41322 13.2353
238 2V6G NAP 0.031 0.40905 13.2353
239 4RDN 6MD 0.01018 0.40618 13.2353
240 1G8K MGD 0.04264 0.4305 14.7059
241 1R37 NAD 0.02013 0.41404 14.7059
242 4USR FAD 0.03921 0.4078 14.7059
243 2XVF FAD 0.009504 0.44197 16.1765
244 1KQP ADJ 0.01798 0.43625 16.1765
245 1UWK NAD 0.01754 0.43448 16.1765
246 2PZ8 APC 0.007323 0.43101 16.1765
247 1SAY PYR 0.01329 0.4278 16.1765
248 5U3F 7TS 0.0112 0.42602 16.1765
249 4MCC 21X 0.01282 0.42451 16.1765
250 1V59 NAD 0.007159 0.42438 16.1765
251 5THZ SAH 0.01665 0.41622 16.1765
252 4GQB 0XU 0.01786 0.41502 16.1765
253 1V59 FAD 0.03959 0.41215 16.1765
254 1RC0 KT5 0.03686 0.41194 16.1765
255 5THY SAH 0.01774 0.41128 16.1765
256 5L0U 660 0.0038 0.45974 16.6667
257 3S5W FAD 0.004156 0.45131 17.6471
258 2YVF FAD 0.01545 0.44964 17.6471
259 2YVF NAD 0.01582 0.44964 17.6471
260 4O8A FAD 0.01807 0.4246 17.6471
261 1BXG NAD 0.01608 0.42036 17.6471
262 1TIW TFB 0.03014 0.41786 17.6471
263 3OID NDP 0.03381 0.41026 17.6471
264 5VKT NAP 0.03044 0.40585 17.6471
265 2DFV NAD 0.01401 0.43046 19.1176
266 3CV6 HXS 0.03738 0.42137 19.1176
267 3CV6 NAP 0.03611 0.42137 19.1176
268 5HSA FAS 0.03166 0.42072 19.1176
269 2F5Z FAD 0.0316 0.41669 19.1176
270 1ZFJ IMP 0.01772 0.41135 19.1176
271 2A5F NAD 0.02048 0.40099 19.1176
272 2RCU BUJ 0.002319 0.49097 20.5882
273 5MZI FYK 0.006205 0.47395 20.5882
274 5MZI FAD 0.006047 0.47395 20.5882
275 1YKJ PHB 0.0169 0.44956 20.5882
276 1YKJ FAD 0.0169 0.44956 20.5882
277 4MP8 NAD 0.006977 0.4485 20.5882
278 1GPE FAD 0.03718 0.42006 20.5882
279 1DXY NAD 0.02824 0.41362 20.5882
280 4FZV SAM 0.01639 0.40969 20.5882
281 5ALC TIQ 0.04051 0.40533 20.5882
282 5DX1 SFG 0.03244 0.40295 20.5882
283 5DWQ SFG 0.02801 0.40234 20.5882
284 5DX8 SFG 0.03054 0.40209 20.5882
285 2CWH NDP 0.005955 0.44364 22.0588
286 2CWH PYC 0.007272 0.44364 22.0588
287 1R27 MGD 0.04998 0.40708 22.0588
288 3VNM SDD 0.03166 0.40394 22.0588
289 4ZGS NAD 0.01982 0.40274 23.5294
290 4IVG ANP 0.02622 0.41024 25
291 3O7B SAH 0.001849 0.46432 26.4706
292 1G0N NDP 0.0366 0.41421 27.9412
293 5KF6 FAD 0.03165 0.41249 27.9412
294 5KF6 TFB 0.03165 0.41249 27.9412
295 1G0N PHH 0.04578 0.41079 27.9412
296 4YSX FAD 0.04364 0.41038 32.3529
Pocket No.: 2; Query (leader) PDB : 2BOS; Ligand: GLA GAL GLC NBU; Similar sites found: 56
This union binding pocket(no: 2) in the query (biounit: 2bos.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4REP FAD 0.004906 0.46487 None
2 5AZC PGT 0.04784 0.42298 None
3 2AJH MET 0.007842 0.41358 None
4 2E5V FAD 0.04521 0.41206 None
5 3T31 FAD 0.04857 0.40889 None
6 1IYE PGU 0.03672 0.40287 None
7 5MBX SP5 0.02126 0.43577 4.41176
8 5MBX FAD 0.02126 0.43577 4.41176
9 2FZW NAD 0.0277 0.4212 5.88235
10 4C3Y ANB 0.0453 0.40993 5.88235
11 4C3Y FAD 0.03444 0.40798 5.88235
12 1MV8 NAD 0.02657 0.40188 5.88235
13 1XA4 COA 0.02141 0.41778 7.35294
14 1U1F 183 0.04316 0.41076 7.35294
15 4AT0 FAD 0.01007 0.44551 8.82353
16 1IOW ADP 0.01672 0.42979 8.82353
17 1IOW PHY 0.01672 0.42979 8.82353
18 1N4W FAD 0.03302 0.42251 8.82353
19 1KPH SAH 0.03804 0.40072 8.82353
20 4UCI SAM 0.00814 0.4351 10.2941
21 1REO FAD 0.01611 0.42962 10.2941
22 1GR0 NAD 0.01835 0.42133 10.2941
23 1X7D NAD 0.02427 0.40989 10.2941
24 1X7D ORN 0.02815 0.40817 10.2941
25 2PT9 2MH 0.04287 0.40547 10.2941
26 4IS0 1R4 0.03454 0.40272 10.2941
27 4RPL FAD 0.00803 0.46561 11.7647
28 4BVA NDP 0.006527 0.44354 11.7647
29 2C4I BTN 0.01424 0.41299 11.7647
30 4B7H NDP 0.02663 0.40477 11.7647
31 4BVA T3 0.04658 0.40366 11.7647
32 1Q0S SAH 0.02816 0.40248 11.7647
33 1KNR FAD 0.001665 0.49163 13.2353
34 4FWE FAD 0.01489 0.4363 13.2353
35 4X9M FAD 0.02542 0.42417 13.2353
36 4O1M NAD 0.02813 0.42041 13.2353
37 4D3F NAP 0.01651 0.415 13.2353
38 1L5Y BEF 0.008931 0.40052 13.2353
39 1TPY SAH 0.03794 0.40038 13.2353
40 2GRU NAD 0.007995 0.44363 14.7059
41 2XVE FAD 0.01751 0.44157 16.1765
42 2B9W FAD 0.02685 0.43394 16.1765
43 5JAQ NAI 0.02762 0.41699 16.1765
44 1GAD NAD 0.01681 0.41497 16.1765
45 3L8G GMB 0.002182 0.40482 16.1765
46 4DQ2 BTX 0.03642 0.40453 16.1765
47 5JCA FAD 0.00532 0.46418 17.6471
48 5JCA NDP 0.01513 0.45193 17.6471
49 1DL5 SAH 0.01373 0.42183 17.6471
50 1V8B NAD 0.01997 0.41716 19.1176
51 3OND ADN 0.03134 0.41373 19.1176
52 4AGQ P96 0.02227 0.41026 19.1176
53 4XB2 NDP 0.01388 0.41626 22.0588
54 4XB2 HSE 0.0211 0.41626 22.0588
55 5EYP GTP 0.006913 0.44756 29.4118
56 1QO8 FAD 0.01864 0.43041 44.1176
Pocket No.: 3; Query (leader) PDB : 2BOS; Ligand: GLA GAL; Similar sites found: 156
This union binding pocket(no: 3) in the query (biounit: 2bos.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XIZ LPP 0.000333 0.52456 None
2 4ZSD 7I6 0.0003824 0.49975 None
3 4UWJ MYA 0.002043 0.49303 None
4 4UWJ 7L5 0.002043 0.49303 None
5 1I82 BGC BGC 0.00009893 0.49199 None
6 1QY1 PRZ 0.0004029 0.48518 None
7 3Q60 ATP 0.000306 0.48373 None
8 5EYK 5U5 0.0009023 0.48351 None
9 3ZW2 GLA NAG GAL FUC 0.001595 0.47771 None
10 4MJ0 SIA SIA GAL 0.0001104 0.47586 None
11 4MJ0 BGC SIA SIA GAL 0.0001259 0.47139 None
12 5ISY NAD 0.0001963 0.46975 None
13 4MJ0 SIA SIA 0.0001493 0.46783 None
14 3X00 ZOF ZOF EDN 0.007145 0.46688 None
15 3X00 ZOF EDN ZOF 0.006999 0.46688 None
16 4WUJ FMN 0.0006913 0.46458 None
17 4P7X AKG 0.0007317 0.45888 None
18 4P7X YCP 0.0007317 0.45888 None
19 3WG3 A2G GAL NAG FUC 0.001214 0.45856 None
20 4IPH 1FJ 0.001062 0.4563 None
21 1BB6 UMG 0.001713 0.45292 None
22 1SWG BTN 0.001419 0.44948 None
23 2P7Q GG6 0.0009144 0.4488 None
24 3A5Y KAA 0.003 0.44773 None
25 3EW2 BTN 0.001195 0.44658 None
26 4D06 NAR 0.003319 0.44292 None
27 1J3R 6PG 0.001397 0.44075 None
28 5DG2 GAL GLC 0.0004401 0.43969 None
29 1NKI PPF 0.003612 0.43695 None
30 1ZB6 GST 0.001749 0.4365 None
31 1ZB6 DIN 0.001658 0.4365 None
32 2YJ0 420 0.01203 0.43086 None
33 4MA6 28E 0.001306 0.4272 None
34 4MLO PAM 0.002829 0.42708 None
35 2YVO AMP 0.005563 0.42622 None
36 1CLU DBG 0.007729 0.42581 None
37 5KO1 6UY 0.004059 0.42536 None
38 3ZW2 GAL FUC 0.003908 0.42343 None
39 3ZW2 NAG GAL FUC 0.004287 0.42172 None
40 3HAV ATP 0.00541 0.41899 None
41 3NV3 GAL NAG MAN 0.0007514 0.41873 None
42 5THQ NDP 0.007753 0.41865 None
43 2D6M LBT 0.0009482 0.41465 None
44 3VV1 GAL FUC 0.001423 0.41432 None
45 5MW8 ATP 0.004512 0.4133 None
46 3WV6 GAL BGC 0.001298 0.41035 None
47 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.003404 0.41004 None
48 3H4V DVP 0.01779 0.41 None
49 5H9Q TD2 0.00139 0.4099 None
50 2GJ5 VD3 0.02005 0.40908 None
51 4KYS VIB 0.003456 0.40838 None
52 4HXY NDP 0.01503 0.40735 None
53 5FM0 WAQ 0.01136 0.40455 None
54 2ZL7 FUC GAL NGA 0.001616 0.40433 None
55 4QYN RTL 0.0145 0.40355 None
56 4OK9 HIS 0.02238 0.40347 None
57 4ZU4 4TG 0.01277 0.40292 None
58 1ULE GLA GAL NAG 0.001609 0.40195 None
59 5VC5 96M 0.01336 0.40154 None
60 3ZXE PGZ 0.00756 0.40102 None
61 3C0G 3AM 0.02606 0.40018 None
62 5NCF 8T5 0.003805 0.41074 2.94118
63 1UU6 BGC BGC BGC BGC 0.003207 0.40867 2.94118
64 4HP0 NOJ NAG NAG NAG 0.0001209 0.51643 4.41176
65 3RDO BTN 0.0008526 0.47333 4.41176
66 3AVS OGA 0.01 0.41181 4.41176
67 4IJP 1EH 0.005239 0.40753 4.41176
68 2YMZ LAT 0.001843 0.40545 4.41176
69 3LVW GSH 0.0007184 0.48374 5.88235
70 3NW7 LGV 0.004585 0.43987 5.88235
71 1VJY 460 0.02388 0.41204 5.88235
72 4U0I 0LI 0.01566 0.41091 5.88235
73 5LRT ADP 0.0154 0.40134 5.88235
74 2FB3 GTP 0.001112 0.46091 7.35294
75 1WUB OTP 0.002319 0.43719 7.35294
76 1ORR NAD 0.009133 0.43233 7.35294
77 4CS4 ANP 0.005586 0.4304 7.35294
78 4CS4 AXZ 0.006877 0.4304 7.35294
79 1H9G COA MYR 0.03697 0.41029 7.35294
80 5LI1 ANP 0.01572 0.4041 7.35294
81 5TFZ 7BC 0.00563 0.40285 7.35294
82 2RDG NDG FUC SIA GAL 0.01123 0.40245 7.35294
83 2JEN GLC GLC BGC XYS BGC XYS 0.001331 0.42626 8.82353
84 5HZ7 MLR 0.004907 0.42525 8.82353
85 5NFB 8VT 0.001228 0.42274 8.82353
86 5T0A GLC GLC GLC GLC 0.01103 0.42158 8.82353
87 4TSM MTT 0.007724 0.42085 8.82353
88 5DXT 5H5 0.001527 0.41865 8.82353
89 5H7N MTT 0.00611 0.41754 8.82353
90 5IXH OTP 0.0154 0.41589 8.82353
91 4IRL MTT 0.00773 0.41014 8.82353
92 2X4Z X4Z 0.008831 0.40816 8.82353
93 3C4M MAL 0.006344 0.40509 8.82353
94 1JS4 BGC BGC 0.02975 0.403 8.82353
95 5XDT MB3 0.008475 0.40265 8.82353
96 1V9T SIN ALA PRO ALA NIT 0.0001855 0.40252 8.82353
97 1GQG DCD 0.002496 0.46168 10.2941
98 2YAK OSV 0.002649 0.46058 10.2941
99 1Y0G 8PP 0.002088 0.45907 10.2941
100 5FI4 5XV 0.00255 0.44559 10.2941
101 4PIV NDP 0.00467 0.44492 10.2941
102 3B1Q NOS 0.001051 0.43933 10.2941
103 5INJ 6C7 0.003896 0.43763 10.2941
104 1ZM1 BGC BGC BGC 0.0009381 0.43217 10.2941
105 5T7I LAT NAG GAL 0.00481 0.42286 10.2941
106 4RDL FUC GAL NDG FUC 0.007517 0.41739 10.2941
107 5JZJ AN2 0.02202 0.40245 10.2941
108 2R09 4IP 0.00676 0.40115 10.2941
109 4H2V AMP 0.007583 0.40055 10.2941
110 3VHH VHH 0.01293 0.43801 11.7647
111 4GLL NAD 0.01082 0.43613 11.7647
112 1Y52 BTN 0.009879 0.43598 11.7647
113 4ZH7 FUC GAL NAG GAL FUC 0.009267 0.41716 11.7647
114 4QDC ASD 0.003488 0.4111 11.7647
115 1OFZ FUC 0.0009879 0.43598 13.2353
116 1JGL EST 0.007376 0.41432 13.2353
117 5TTD MLR 0.007693 0.40986 13.2353
118 4MBY BGC SIA GAL 0.004291 0.4016 13.2353
119 1WBI BTN 0.001714 0.45191 14.7059
120 1IF7 SBR 0.01012 0.44234 14.7059
121 5TV6 PML 0.00246 0.42249 14.7059
122 3UDZ ADP 0.005409 0.41739 14.7059
123 3VPD ANP 0.01515 0.41461 14.7059
124 3MJE NDP 0.01402 0.40762 14.7059
125 3E9I XAH 0.009903 0.4016 14.7059
126 2IGA XX3 0.002324 0.43686 16.1765
127 2IGA XXP 0.008149 0.42008 16.1765
128 2IGA XX2 0.003594 0.4141 16.1765
129 3VQ2 LP4 LP5 MYR DAO 0.01494 0.4141 16.1765
130 5JSP DQY 0.002552 0.41345 16.1765
131 5GLT BGC GAL NAG GAL 0.006909 0.40235 16.1765
132 1GP6 DH2 0.007922 0.42279 17.6471
133 1GP6 QUE 0.008367 0.42279 17.6471
134 1GP6 SIN 0.007922 0.42279 17.6471
135 1W6U NAP 0.01088 0.41715 17.6471
136 2IXC TRH 0.01558 0.41508 17.6471
137 3BJK CIT 0.0146 0.41425 17.6471
138 3KDM TES 0.004611 0.43686 19.1176
139 5J75 6GQ 0.004372 0.41472 19.1176
140 4XR8 MAL 0.005985 0.40682 19.1176
141 5LVP ATP 0.008891 0.40357 19.1176
142 5MY8 RXZ 0.01725 0.4089 20.5882
143 5X7Q GLC GLC GLC BGC 0.01129 0.40736 20.5882
144 4MP8 NAD 0.03068 0.40251 20.5882
145 3SAO NKN 0.0002247 0.50433 22.0588
146 2CWH PYC 0.007409 0.42524 22.0588
147 2CWH NDP 0.007632 0.42211 22.0588
148 4UIN QI9 0.01397 0.40788 22.0588
149 2OYS FMN 0.02363 0.40707 22.0588
150 5K2M ADP 0.02311 0.4 22.6415
151 2YNE NHW 0.007701 0.44129 25
152 2YNE YNE 0.007701 0.44129 25
153 4YZC STU 0.01396 0.41696 25
154 5G41 AP5 0.04128 0.41718 26.4706
155 1G0N PHH 0.01166 0.40975 27.9412
156 4QJP V1F 0.002209 0.44242 30.8824
Pocket No.: 4; Query (leader) PDB : 2BOS; Ligand: GLA GAL GLC NBU; Similar sites found: 23
This union binding pocket(no: 4) in the query (biounit: 2bos.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZJ3 G6P 0.006026 0.44421 None
2 5FM0 WAQ 0.0461 0.40453 None
3 5GJH SER ASP PTR MET ASN MET THR PRO 0.01977 0.40117 None
4 2FWP CIT 0.01597 0.40088 None
5 1O97 AMP 0.004333 0.48432 4.41176
6 1O97 FAD 0.004333 0.48432 4.41176
7 1H82 FAD 0.04505 0.41914 4.41176
8 2G5C NAD 0.03274 0.40176 4.41176
9 16PK BIS 0.03127 0.42248 5.88235
10 4EUE NAI 0.01719 0.41911 5.88235
11 2RHO GSP 0.01391 0.427 7.35294
12 5G3U ITW 0.02608 0.42641 7.35294
13 4J4H 1J1 0.04527 0.41108 7.35294
14 4J4H NAI 0.04665 0.41108 7.35294
15 1QFY FAD 0.04775 0.40324 7.35294
16 1QFY NAP 0.04775 0.40324 7.35294
17 1ELI PYC 0.04627 0.41205 8.82353
18 2GAG NAD 0.01495 0.43302 10.2941
19 5KMS FAD 0.01929 0.423 10.2941
20 4NMC FAD 0.02919 0.41922 11.7647
21 2BJK NAD 0.01908 0.42783 13.2353
22 2IV2 MGD 0.04792 0.4085 13.2353
23 2CDC NAP 0.01111 0.46378 25
Pocket No.: 5; Query (leader) PDB : 2BOS; Ligand: GLA GAL GLC; Similar sites found: 153
This union binding pocket(no: 5) in the query (biounit: 2bos.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XIZ LPP 0.000251 0.53665 None
2 4ZSD 7I6 0.0004464 0.49538 None
3 1QY1 PRZ 0.0005853 0.49337 None
4 1I82 BGC BGC 0.0001164 0.48917 None
5 4MJ0 SIA SIA GAL 0.00007562 0.48835 None
6 4MJ0 BGC SIA SIA GAL 0.00008214 0.48622 None
7 4MJ0 SIA SIA 0.0001179 0.47833 None
8 1I06 TZL 0.0003953 0.47588 None
9 1BB6 UMG 0.00106 0.47583 None
10 5ISY NAD 0.0001673 0.47409 None
11 4P7X AKG 0.0004122 0.46992 None
12 4P7X YCP 0.0004122 0.46992 None
13