Receptor
PDB id Resolution Class Description Source Keywords
5F90 1.64 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A CRENOMYTILUS GRAYANUS LECTIN IN COMPL GB3 ALLYL CRENOMYTILUS GRAYANUS LECTIN SUGAR BINDING PROTEIN
Ref.: A MULTIVALENT MARINE LECTIN FROM CRENOMYTILUS GRAYA POSSESSES ANTI-CANCER ACTIVITY THROUGH RECOGNIZING GLOBOTRIOSE GB3 J.AM.CHEM.SOC. V. 138 4787 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LMR A:201;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
GLA GAL A:206;
B:209;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1O...
GLA GAL BGC 5VQ B:201;
A:202;
B:205;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 14 uM
546.519 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F90 1.64 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A CRENOMYTILUS GRAYANUS LECTIN IN COMPL GB3 ALLYL CRENOMYTILUS GRAYANUS LECTIN SUGAR BINDING PROTEIN
Ref.: A MULTIVALENT MARINE LECTIN FROM CRENOMYTILUS GRAYA POSSESSES ANTI-CANCER ACTIVITY THROUGH RECOGNIZING GLOBOTRIOSE GB3 J.AM.CHEM.SOC. V. 138 4787 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 5F90 Kd = 14 uM GLA GAL BGC 5VQ n/a n/a
2 5F8Y Kd = 57 uM X6X C6 H13 N O5 C([C@@H]1[....
3 5F8W Kd = 51 uM GLA C6 H12 O6 C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 5F90 Kd = 14 uM GLA GAL BGC 5VQ n/a n/a
2 5F8Y Kd = 57 uM X6X C6 H13 N O5 C([C@@H]1[....
3 5F8W Kd = 51 uM GLA C6 H12 O6 C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5XG5 Kd = 0.33 mM A2G C8 H15 N O6 CC(=O)N[C@....
2 5F90 Kd = 14 uM GLA GAL BGC 5VQ n/a n/a
3 5F8Y Kd = 57 uM X6X C6 H13 N O5 C([C@@H]1[....
4 5F8W Kd = 51 uM GLA C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LMR; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DMR 1 1
2 LMR 1 1
3 MLT 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HR 0.5 0.666667
7 3HL 0.5 0.666667
8 TRC 0.478261 0.666667
9 2HG 0.461538 0.809524
10 S2G 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Ligand no: 2; 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: 3; Ligand: GLA GAL BGC 5VQ; Similar ligands found: 195
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL BGC 5VQ 1 1
2 GLA GAL GLC NBU 0.807018 0.948718
3 MAL EDO 0.745455 0.894737
4 GLA EGA 0.727273 0.945946
5 DMU 0.721311 0.880952
6 LMT 0.721311 0.880952
7 UMQ 0.721311 0.880952
8 LMU 0.721311 0.880952
9 LAT GLA 0.679245 0.891892
10 GLC BGC BGC 0.62069 0.891892
11 BGC GLC GLC GLC 0.62069 0.891892
12 BGC BGC BGC BGC BGC BGC 0.62069 0.891892
13 CE8 0.62069 0.891892
14 MAN BMA BMA 0.62069 0.891892
15 CEY 0.62069 0.891892
16 CTT 0.62069 0.891892
17 GLC BGC GLC 0.62069 0.891892
18 CT3 0.62069 0.891892
19 GLC GLC GLC GLC GLC GLC GLC GLC 0.62069 0.891892
20 BGC BGC BGC GLC 0.62069 0.891892
21 MT7 0.62069 0.891892
22 CE6 0.62069 0.891892
23 GLA GAL GLC 0.62069 0.891892
24 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.62069 0.891892
25 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.62069 0.891892
26 GAL GAL GAL 0.62069 0.891892
27 BGC GLC GLC GLC GLC GLC GLC 0.62069 0.891892
28 CE5 0.62069 0.891892
29 BMA MAN BMA 0.62069 0.891892
30 MTT 0.62069 0.891892
31 BMA BMA BMA BMA BMA BMA 0.62069 0.891892
32 GLC BGC BGC BGC BGC 0.62069 0.891892
33 GLC GLC BGC GLC GLC GLC GLC 0.62069 0.891892
34 DXI 0.62069 0.891892
35 MAN MAN BMA BMA BMA BMA 0.62069 0.891892
36 BGC GLC GLC 0.62069 0.891892
37 CEX 0.62069 0.891892
38 BMA BMA BMA 0.62069 0.891892
39 CTR 0.62069 0.891892
40 BMA BMA BMA BMA BMA 0.62069 0.891892
41 GLC GAL GAL 0.62069 0.891892
42 GLC BGC BGC BGC BGC BGC 0.62069 0.891892
43 MAN BMA BMA BMA BMA 0.62069 0.891892
44 B4G 0.62069 0.891892
45 GLC GLC GLC GLC GLC 0.62069 0.891892
46 BGC GLC GLC GLC GLC 0.62069 0.891892
47 GLC GLC GLC GLC GLC GLC GLC 0.62069 0.891892
48 GLC GLC BGC 0.62069 0.891892
49 MLR 0.62069 0.891892
50 GLC GLC GLC GLC GLC GLC 0.615385 0.891892
51 MMA MAN 0.614035 0.894737
52 DR5 0.614035 0.894737
53 6UZ 0.61194 0.809524
54 BMA BMA BMA BMA BMA BMA MAN 0.606557 0.868421
55 MAN BMA BMA BMA BMA BMA 0.606557 0.868421
56 BGC BGC GLC 0.580645 0.891892
57 CM5 0.569444 0.85
58 MA4 0.561644 0.85
59 G2F BGC BGC BGC BGC BGC 0.560606 0.785714
60 LAT 0.551724 0.891892
61 BGC GLC 0.551724 0.891892
62 BGC BMA 0.551724 0.891892
63 LBT 0.551724 0.891892
64 CBI 0.551724 0.891892
65 MAL 0.551724 0.891892
66 N9S 0.551724 0.891892
67 GLA GAL 0.551724 0.891892
68 MAB 0.551724 0.891892
69 BMA BMA 0.551724 0.891892
70 B2G 0.551724 0.891892
71 MAL MAL 0.551724 0.868421
72 BMA GAL 0.551724 0.891892
73 GAL BGC 0.551724 0.891892
74 GLC GAL 0.551724 0.891892
75 CBK 0.551724 0.891892
76 GAL GLC 0.551724 0.891892
77 GLC BGC 0.551724 0.891892
78 BGC GAL 0.551724 0.891892
79 GLA GLA 0.551724 0.891892
80 LSE 0.542857 0.734694
81 BMA BMA GLA BMA BMA 0.542857 0.891892
82 BGC BGC BGC BGC BGC BGC BGC BGC 0.537313 0.891892
83 BGC BGC BGC BGC 0.537313 0.891892
84 GAL BGC NAG GAL 0.533333 0.708333
85 GLC GLC GLC BGC 0.528571 0.891892
86 GLC GLC XYP 0.521739 0.891892
87 G3I 0.521739 0.702128
88 G2I 0.521739 0.702128
89 OXZ BGC BGC 0.521739 0.634615
90 10M 0.513889 0.822222
91 GLC GLC XYS 0.507042 0.868421
92 SOR GLC GLC GLC 0.5 0.868421
93 DEG 0.491525 0.871795
94 MVP 0.484848 0.673469
95 GLA MBG 0.483333 0.894737
96 BGC BGC G2F SHG 0.480519 0.767442
97 GLA GAL GAL 0.477612 0.891892
98 GLA GAL BGC 0.477612 0.891892
99 BNG 0.47619 0.833333
100 BOG 0.47619 0.833333
101 HSJ 0.47619 0.833333
102 SOR GLC GLC 0.472222 0.868421
103 TRE 0.471698 0.891892
104 ABD 0.469136 0.723404
105 U63 0.46875 0.804878
106 GLC HEX 0.467742 0.809524
107 JZR 0.467742 0.809524
108 BHG 0.467742 0.809524
109 HEX GLC 0.467742 0.809524
110 LAT SPH DAO 0.465909 0.685185
111 LAT SPH OLA 0.465909 0.685185
112 GAL NGA GLA BGC GAL 0.463415 0.708333
113 GLO GLC GLC GLC 0.461538 0.846154
114 OPM MAN MAN 0.460526 0.902439
115 KGM 0.460317 0.833333
116 B7G 0.460317 0.833333
117 MAN MAN 0.459016 0.891892
118 2M4 0.459016 0.891892
119 BGC BGC 0.459016 0.891892
120 BGC BGC BGC XYS BGC BGC 0.45679 0.846154
121 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.45679 0.846154
122 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.45679 0.846154
123 BMA MAN 0.453125 0.820513
124 LB2 0.451613 0.891892
125 M3M 0.451613 0.891892
126 MAN GLC 0.451613 0.891892
127 GAL NDG 0.449275 0.708333
128 NDG GAL 0.449275 0.708333
129 NLC 0.449275 0.708333
130 8VZ 0.449275 0.653846
131 BGC BGC SGC MGL 0.448718 0.829268
132 MGL SGC GLC GLC 0.448718 0.829268
133 NGA GAL BGC 0.447368 0.708333
134 BMA BMA MAN 0.446154 0.868421
135 GAL FUC 0.446154 0.891892
136 4MU BGC BGC BGC BGC 0.445783 0.73913
137 GAL GAL GLC EMB MEC 0.444444 0.666667
138 GLC GLC G6D ACI GLC GLC GLC 0.443182 0.755556
139 GAL MBG 0.4375 0.894737
140 M13 0.4375 0.894737
141 MDM 0.4375 0.894737
142 LAT SPH OCA 0.43617 0.660714
143 BGC 18C GAL 0.43617 0.660714
144 GLO GLC GLC 0.435897 0.846154
145 GTM BGC BGC 0.434211 0.829268
146 4MU BGC BGC 0.433735 0.73913
147 VAM 0.432836 0.829268
148 GLC GLC BGC XYS BGC XYS 0.432099 0.846154
149 DOM 0.430769 0.846154
150 NAG BMA 0.430556 0.634615
151 AFO 0.428571 0.75
152 FK9 0.426471 0.790698
153 BGC BGC XYS BGC 0.425 0.846154
154 MAN NAG GAL 0.423077 0.708333
155 GAL NAG MAN 0.423077 0.708333
156 BGC BGC BGC XYS GAL 0.421687 0.846154
157 BGB 0.419753 0.860465
158 GLC BGC BGC BGC BGC BGC BGC 0.41791 0.891892
159 BGC BGC BGC ASO BGC BGC ASO 0.41791 0.891892
160 5QP 0.41791 0.794872
161 BGC BGC BGC BGC BGC 0.41791 0.891892
162 BGC BGC BGC GLC BGC BGC 0.41791 0.891892
163 BGC BGC BGC 0.41791 0.891892
164 GLC BGC BGC BGC 0.41791 0.891892
165 NGA GLA GAL BGC 0.416667 0.708333
166 RZM 0.415385 0.632653
167 BGC GAL NAG GAL 0.414634 0.708333
168 LAT NAG GAL 0.414634 0.708333
169 GAL NAG GAL BGC 0.414634 0.708333
170 BMA MAN MAN 0.414286 0.891892
171 GLF B8D 0.411765 0.744186
172 MAN MNM 0.411765 0.6875
173 MAN MAN BMA 0.411765 0.891892
174 QV4 0.411111 0.708333
175 FUC BGC GAL 0.410959 0.918919
176 MAN MMA MAN 0.410959 0.894737
177 GLC GLC ACI G6D GLC GLC 0.408602 0.708333
178 GLC GLC DAF BGC 0.408602 0.708333
179 GLC GLC AGL HMC GLC 0.408602 0.708333
180 BMA BMA BMA BMA GLA BMA GLA 0.408602 0.767442
181 ACR GLC GLC GLC 0.408602 0.708333
182 GAL MGC 0.408451 0.68
183 EBG 0.40625 0.8
184 EBQ 0.40625 0.8
185 6SA 0.405941 0.708333
186 NOJ GLC 0.405797 0.666667
187 FMO 0.405797 0.785714
188 GLC GAL NAG GAL 0.404762 0.708333
189 RGG 0.403226 0.789474
190 LGN 0.401961 0.660714
191 IGC 0.401961 0.660714
192 GAL BGC BGC XYS 0.4 0.846154
193 ABL 0.4 0.647059
194 NGT GAL 0.4 0.641509
195 GAL NGT 0.4 0.641509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F90; Ligand: GLA GAL BGC 5VQ; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 5f90.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YNM SAM 0.01873 0.40739 1.92308
2 4D0G GTP 0.02891 0.40254 1.92308
3 5JBX COA 0.02412 0.4005 2.5641
4 5I2E 67D 0.02303 0.43616 3.10078
5 2D24 XYS XYS 0.0002221 0.47885 3.20513
6 4N82 FMN 0.01914 0.41194 3.20513
7 1UYY BGC BGC 0.006181 0.41623 3.81679
8 2NYR SVR 0.02185 0.44493 3.84615
9 4Y0X ADP 0.01333 0.41081 3.84615
10 5VZ0 ADP 0.01395 0.41062 3.84615
11 2JFZ DGL 0.04778 0.40996 3.84615
12 5LJW ANP 0.01141 0.40972 3.84615
13 2JFZ 003 0.04881 0.4095 3.84615
14 3P3G UKW 0.03478 0.40599 3.84615
15 3P3G 3P3 0.03478 0.40599 3.84615
16 3TW1 AHN 0.00379 0.40361 3.84615
17 5N2I NAP 0.02823 0.40346 3.84615
18 1W1A NDG 0.00147 0.4291 4.48718
19 1RE8 BD2 0.0387 0.41459 4.48718
20 5MW8 ATP 0.02147 0.41424 4.48718
21 4I42 1HA 0.0291 0.41085 4.48718
22 2ZX2 RAM 0.005613 0.4042 5.12821
23 3K56 IS3 0.0477 0.40359 5.26316
24 3AJ6 NGA 0.0002987 0.47937 5.76923
25 5J6Y BGC 0.00408 0.42348 5.76923
26 5J6Y GLC 0.00408 0.42348 5.76923
27 3N1S 5GP 0.00864 0.42148 5.88235
28 4WW7 AMP 0.01816 0.41679 6.41026
29 5TDF ADP 0.03028 0.40069 6.41026
30 4FJU NAI 0.02664 0.41933 7.05128
31 4I54 1C1 0.04519 0.40687 7.05128
32 2Q2Y MKR 0.04198 0.40892 7.69231
33 2Q2Y ADP 0.04348 0.40892 7.69231
34 1OG1 TAD 0.01747 0.40795 7.69231
35 2GQR ADP 0.01216 0.41729 8.33333
36 2VSU ACO 0.02006 0.40818 8.33333
37 5BV3 M7G 0.02145 0.40265 8.33333
38 2VSS ACO 0.01477 0.41646 8.97436
39 4ZGR NGA GAL 0.00001564 0.52274 10.2564
40 5GZ9 ANP 0.02838 0.40079 10.2564
41 4G9N NGA 0.0003804 0.47456 11.8881
42 4LO2 GAL BGC 0.0001307 0.49323 13.6054
43 2CNE DFJ 0.04981 0.40808 15.3846
44 4OWK NGA 0.01396 0.40046 17.3913
45 4OUJ LBT 0.0001524 0.4911 18.5897
46 1KNM LAT 0.001394 0.42685 23.0769
Pocket No.: 2; Query (leader) PDB : 5F90; Ligand: LMR; Similar sites found: 65
This union binding pocket(no: 2) in the query (biounit: 5f90.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GHE ACO 0.0494 0.40136 None
2 3PN1 IVH 0.00839 0.4122 1.28205
3 4LRJ ANP 0.01667 0.40778 1.28205
4 4YNM SAM 0.006097 0.43554 1.92308
5 4IX4 ADP 0.01524 0.42401 1.92308
6 5JBX COA 0.007714 0.42729 2.5641
7 5GS9 ARG 0.01626 0.41028 2.5641
8 5KJU 6TO 0.02992 0.40124 2.5641
9 5I2E 67D 0.02993 0.42226 3.10078
10 2D24 XYS XYS 0.0008019 0.44231 3.20513
11 5WYF ILP 0.02572 0.40099 3.20513
12 1UYY BGC BGC 0.008929 0.40175 3.81679
13 4Y0X ADP 0.006473 0.43684 3.84615
14 5VZ0 ADP 0.008537 0.42547 3.84615
15 3P3G UKW 0.02282 0.41334 3.84615
16 3P3G 3P3 0.02282 0.41334 3.84615
17 4UP3 FAD 0.04221 0.40953 3.84615
18 4IJP 1EH 0.01381 0.40852 3.84615
19 1W1A NDG 0.0005263 0.43426 4.48718
20 5MW8 ATP 0.01046 0.43311 4.48718
21 4I42 1HA 0.02466 0.4097 4.48718
22 3S6X SIA GAL BGC 0.005633 0.43392 5.12821
23 2HW1 ANP 0.02686 0.42582 5.12821
24 2AJ4 ANP 0.02089 0.41016 5.12821
25 2ZX2 RAM 0.003897 0.40112 5.12821
26 4HKP TKW 0.000837 0.49249 5.44872
27 3AJ6 NGA 0.0011 0.43379 5.76923
28 5J6Y GLC 0.004081 0.41461 5.76923
29 5J6Y BGC 0.004081 0.41461 5.76923
30 1AK0 ADS THS THS THS 0.00856 0.41219 5.76923
31 1M0W ANP 0.01789 0.41165 5.76923
32 4QRH 0O2 0.03262 0.4041 5.76923
33 3UDZ ADP 0.02675 0.40156 5.76923
34 3N1S 5GP 0.00817 0.41697 5.88235
35 1XTP SAI 0.007168 0.4417 6.41026
36 5EOB 5QQ 0.027 0.41793 6.41026
37 5TDF ADP 0.02363 0.41265 6.41026
38 4WW7 AMP 0.02391 0.4078 6.41026
39 3LOO B4P 0.0495 0.40606 6.41026
40 1OXV ANP 0.02294 0.40561 6.41026
41 1S68 AMP 0.01789 0.40411 6.41026
42 3DLS ADP 0.0216 0.40386 6.41026
43 4FJU NAI 0.02083 0.42776 7.05128
44 1TMM HHR 0.02049 0.42173 7.05128
45 1TMM APC 0.02151 0.42173 7.05128
46 1U6R ADP 0.02534 0.407 7.05128
47 5GXU FMN 0.02907 0.40267 7.69231
48 2Q2Y MKR 0.03987 0.4022 7.69231
49 2Q2Y ADP 0.04126 0.4022 7.69231
50 2GQR ADP 0.003461 0.44998 8.33333
51 2VSU ACO 0.01075 0.42246 8.33333
52 5C4L 4XR 0.0289 0.40488 8.33333
53 5C4L SIS 0.03153 0.40438 8.33333
54 1KQB FMN 0.02417 0.40151 8.33333
55 2VSS ACO 0.007373 0.43428 8.97436
56 2JGV ADP 0.009184 0.41757 8.97436
57 3W9Z FMN 0.01973 0.4111 8.97436
58 4ZGR NGA GAL 0.00003866 0.48501 10.2564
59 4PZ6 GMP 0.01163 0.40134 10.2564
60 4YHB FAD 0.04847 0.40455 11.5385
61 4G9N NGA 0.0007358 0.45795 11.8881
62 4LO2 GAL BGC 0.0006671 0.45296 13.6054
63 2CNE DFJ 0.03962 0.41306 15.3846
64 4OUJ LBT 0.000706 0.4507 18.5897
65 1KNM LAT 0.003724 0.41259 23.0769
Pocket No.: 3; Query (leader) PDB : 5F90; Ligand: GLA GAL BGC 5VQ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5f90.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5F90; Ligand: GLA GAL BGC 5VQ; Similar sites found: 4
This union binding pocket(no: 4) in the query (biounit: 5f90.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ATL 0QI 0.02277 0.40164 5.76923
2 1N4W FAD 0.03578 0.40888 6.41026
3 3TKY SAH 0.02207 0.4076 8.97436
4 5K2M ADP 0.03581 0.40492 9.43396
Pocket No.: 5; Query (leader) PDB : 5F90; Ligand: GLA GAL; Similar sites found: 44
This union binding pocket(no: 5) in the query (biounit: 5f90.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YNM SAM 0.01968 0.40894 1.92308
2 1UJ5 5RP 0.01235 0.40953 2.5641
3 5I2E 67D 0.02009 0.43984 3.10078
4 2D24 XYS XYS 0.0002467 0.4766 3.20513
5 3ITJ FAD 0.01762 0.44282 3.20513
6 5AOA PPI 0.00198 0.40121 3.20513
7 1UYY BGC BGC 0.005096 0.42154 3.81679
8 2NYR SVR 0.0225 0.44239 3.84615
9 5LJW ANP 0.008897 0.41562 3.84615
10 5N2I NAP 0.02031 0.41379 3.84615
11 3P3G UKW 0.02906 0.41125 3.84615
12 3P3G 3P3 0.02906 0.41125 3.84615
13 4INI AMP 0.02051 0.40188 3.84615
14 1W1A NDG 0.001788 0.42625 4.48718
15 4I42 1HA 0.02214 0.41944 4.48718
16 5MW8 ATP 0.03576 0.40184 4.48718
17 2ZX2 RAM 0.005497 0.40448 5.12821
18 3RG9 NDP 0.04674 0.40386 5.12821
19 4XV1 904 0.04071 0.40073 5.12821
20 3AJ6 NGA 0.0002384 0.48495 5.76923
21 5J6Y GLC 0.005456 0.41335 5.76923
22 5J6Y BGC 0.005456 0.41335 5.76923
23 4Y4V DAL 0.006226 0.40458 5.76923
24 1AK0 ADS THS THS THS 0.01151 0.40422 5.76923
25 3N1S 5GP 0.008749 0.42106 5.88235
26 4WW7 AMP 0.02916 0.40166 6.41026
27 4FJU NAI 0.02224 0.42473 7.05128
28 1TMM HHR 0.04226 0.40255 7.05128
29 1TMM APC 0.04431 0.40255 7.05128
30 1OG1 TAD 0.01467 0.41259 7.69231
31 3NC9 TR3 0.02143 0.42622 8.33333
32 2GQR ADP 0.01831 0.40527 8.33333
33 2JGV ADP 0.01028 0.41258 8.97436
34 2VSS ACO 0.0229 0.40418 8.97436
35 2PWY SAH 0.02646 0.42943 9.61539
36 4ZGR NGA GAL 0.00001459 0.52393 10.2564
37 4G9N NGA 0.0002547 0.47501 11.8881
38 4LO2 GAL BGC 0.0001075 0.49254 13.6054
39 1RWQ 5AP 0.02042 0.42703 14.1026
40 5EKO N17 0.02427 0.40809 15.3846
41 2ZJ3 G6P 0.0217 0.43285 16.6667
42 4OWK NGA 0.008695 0.40575 17.3913
43 4OUJ LBT 0.0001565 0.48728 18.5897
44 1KNM LAT 0.001202 0.42943 23.0769
Pocket No.: 6; Query (leader) PDB : 5F90; Ligand: GLA GAL; Similar sites found: 42
This union binding pocket(no: 6) in the query (biounit: 5f90.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GHE ACO 0.03735 0.40815 None
2 4N9I PCG 0.0155 0.44653 1.28205
3 3PN1 IVH 0.005079 0.42779 1.28205
4 4LRJ ANP 0.0136 0.41367 1.28205
5 1ZPR UMP 0.01472 0.41064 1.28205
6 4IX4 ADP 0.01236 0.42948 1.92308
7 4D0G GTP 0.01283 0.42212 1.92308
8 5JBX COA 0.007725 0.4261 2.5641
9 4Y0X ADP 0.007421 0.43009 3.84615
10 4UP3 FAD 0.02877 0.4239 3.84615
11 5VZ0 ADP 0.01056 0.41851 3.84615
12 4CLI 5P8 0.03471 0.40728 3.84615
13 4IJP 1EH 0.02023 0.40293 3.84615
14 3G5S FAD 0.02661 0.41458 4.48718
15 3TY5 ATP 0.01413 0.40227 4.48718
16 2I7N ACO 0.02653 0.4017 4.48718
17 3S6X SIA GAL BGC 0.005582 0.43425 5.12821
18 3JDW ORN 0.02569 0.42558 5.12821
19 3DC4 ADP 0.0156 0.40169 5.12821
20 4HKP TKW 0.0004722 0.50839 5.44872
21 2X06 NAD 0.03765 0.40711 5.76923
22 3UDZ ADP 0.02315 0.40513 5.76923
23 1ATL 0QI 0.02161 0.40033 5.76923
24 5EOB 5QQ 0.03221 0.41135 6.41026
25 1S68 AMP 0.0157 0.40567 6.41026
26 3V4S ADP 0.0482 0.40437 6.41026
27 5TDF ADP 0.02514 0.40353 6.41026
28 1OXV ANP 0.02612 0.40179 6.41026
29 3DLS ADP 0.01896 0.40124 6.41026
30 2Q2Y MKR 0.01535 0.43291 7.69231
31 2Q2Y ADP 0.01593 0.43291 7.69231
32 5GXU FMN 0.01783 0.4175 7.69231
33 5A3T MMK 0.04477 0.41071 7.69231
34 5BV3 M7G 0.006275 0.43098 8.33333
35 2VSU ACO 0.008529 0.42938 8.33333
36 1C1D PHE 0.01731 0.40376 8.33333
37 3W9Z FMN 0.02184 0.40791 8.97436
38 4PZ6 GMP 0.006153 0.40893 10.2564
39 4YHB FAD 0.04984 0.40255 11.5385
40 1OBD ATP 0.01708 0.40061 11.5385
41 5XDT MB3 0.02676 0.4186 13.4615
42 2CNE DFJ 0.03085 0.41963 15.3846
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