Receptor
PDB id Resolution Class Description Source Keywords
4LO2 2.25 Å NON-ENZYME: OTHER HA17-HA33-LAC CLOSTRIDIUM BOTULINUM PROGENITOR TOXIN COMPLEX BOTULINUM NEUROTOXIN BOTULISM NEASSOCIATED PROTEIN HEMAGGLUTININ CARBOHYDRATE/SUGAR BINDISECRETED PROTEIN PROTEIN TRANSPORT
Ref.: STRUCTURE OF A BIMODULAR BOTULINUM NEUROTOXIN COMPL PROVIDES INSIGHTS INTO ITS ORAL TOXICITY. PLOS PATHOG. V. 9 03690 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL BGC A:301;
B:301;
Valid;
Valid;
none;
none;
Kd ~ 1 mM
342.297 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LO2 2.25 Å NON-ENZYME: OTHER HA17-HA33-LAC CLOSTRIDIUM BOTULINUM PROGENITOR TOXIN COMPLEX BOTULINUM NEUROTOXIN BOTULISM NEASSOCIATED PROTEIN HEMAGGLUTININ CARBOHYDRATE/SUGAR BINDISECRETED PROTEIN PROTEIN TRANSPORT
Ref.: STRUCTURE OF A BIMODULAR BOTULINUM NEUROTOXIN COMPL PROVIDES INSIGHTS INTO ITS ORAL TOXICITY. PLOS PATHOG. V. 9 03690 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4LO2 Kd ~ 1 mM GAL BGC n/a n/a
2 5BP5 - IPT C9 H18 O5 S CC(C)S[C@H....
3 4LO3 Kd ~ 1 mM GAL NDG n/a n/a
4 4LO1 Kd ~ 1.8 mM GAL C6 H12 O6 C([C@@H]1[....
5 5BQU Kd = 1.37 mM FRU GAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4LO2 Kd ~ 1 mM GAL BGC n/a n/a
2 5BP5 - IPT C9 H18 O5 S CC(C)S[C@H....
3 4LO3 Kd ~ 1 mM GAL NDG n/a n/a
4 4LO1 Kd ~ 1.8 mM GAL C6 H12 O6 C([C@@H]1[....
5 5BQU Kd = 1.37 mM FRU GAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4LO2 Kd ~ 1 mM GAL BGC n/a n/a
2 5BP5 - IPT C9 H18 O5 S CC(C)S[C@H....
3 4LO3 Kd ~ 1 mM GAL NDG n/a n/a
4 4LO1 Kd ~ 1.8 mM GAL C6 H12 O6 C([C@@H]1[....
5 5BQU Kd = 1.37 mM FRU GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL BGC; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LO2; Ligand: GAL BGC; Similar sites found: 196
This union binding pocket(no: 1) in the query (biounit: 4lo2.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NW6 2NS 0.01423 0.42158 None
2 2DT9 THR 0.01478 0.41026 None
3 1W4R TTP 0.01228 0.41683 2.04082
4 2ORV 4TA 0.01582 0.40548 2.04082
5 4DSU BZI 0.005383 0.43064 2.1164
6 1TLG GAL 0.0005593 0.43904 2.4
7 4J7H TLO 0.01759 0.40953 2.7027
8 2GQR ADP 0.003144 0.4408 2.72109
9 4C0X AQN 0.01629 0.42564 2.95567
10 4C0X FMN 0.01347 0.42564 2.95567
11 3ALN ANP 0.009924 0.43371 3.04054
12 4HZO COA 0.01135 0.40207 3.04054
13 3BXF FBP 0.02107 0.40037 3.13725
14 1OLT SAM 0.009743 0.43776 3.37838
15 4C2C ALA VAL PRO ALA 0.003086 0.43427 3.40136
16 1XMV ADP 0.007318 0.42765 3.40136
17 5IH9 6BF 0.01869 0.42325 3.40136
18 5LRT ADP 0.02667 0.40051 3.40136
19 4OJ8 AKG 0.01659 0.40003 3.40136
20 4OJ8 2TQ 0.0188 0.40003 3.40136
21 1VPM COA 0.01839 0.42589 3.5503
22 4A3R CIT 0.01023 0.40485 3.71622
23 2CYE COA 0.0174 0.4194 3.7594
24 3A6T 8OG 0.004374 0.4451 3.87597
25 4DQ2 BTX 0.02654 0.41152 4.05405
26 3MVH WFE 0.003968 0.45787 4.08163
27 1PN4 HDC 0.005212 0.44991 4.08163
28 4OH4 ANP 0.003917 0.44951 4.08163
29 3GC0 AMP 0.006056 0.41809 4.08163
30 4I94 ANP 0.01182 0.412 4.08163
31 4MZQ 1VU 0.0004607 0.50341 4.16667
32 1YBU APC 0.001492 0.46041 4.34783
33 2IBN I1N 0.005394 0.42004 4.4
34 1S4M LUM 0.005863 0.45358 4.43686
35 1JZN BGC GAL 0.001308 0.43586 4.44444
36 3BXD INS 0.01279 0.41812 4.49827
37 4LTN NAI 0.01406 0.40098 4.56853
38 4LTN FMN 0.01237 0.40098 4.56853
39 3V8S 0HD 0.004517 0.43527 4.7619
40 1GSA ADP 0.008279 0.42819 4.7619
41 2RIO ADP 0.007858 0.42343 4.7619
42 2F2U M77 0.006357 0.41771 4.7619
43 3FHR P4O 0.01927 0.40893 4.7619
44 4ANW O92 0.03075 0.40835 4.7619
45 5FUE UV4 0.01744 0.40697 4.7619
46 1U2Z SAH 0.01779 0.40628 4.7619
47 2Q1W NAD 0.0242 0.40618 4.7619
48 2XVD AS6 0.03821 0.40446 4.7619
49 5MJA 7O3 0.0205 0.40648 5.06757
50 4K4D HFQ 0.01823 0.41885 5.10949
51 2Z48 A2G 0.0000004961 0.61435 5.44218
52 2Z48 NGA 0.000001343 0.59493 5.44218
53 2Z49 AMG 0.000004234 0.541 5.44218
54 4BFM ANP 0.002332 0.45661 5.44218
55 5HES 032 0.004722 0.43994 5.44218
56 1N07 FMN 0.01365 0.43669 5.44218
57 1AKV FMN 0.008102 0.42984 5.44218
58 1GR0 NAD 0.02437 0.42537 5.44218
59 2PTZ PAH 0.007286 0.41542 5.44218
60 2WQN ADP 0.01384 0.41019 5.44218
61 4AG5 ADP 0.009395 0.41345 5.74324
62 2WU6 DKI 0.02123 0.41028 5.74324
63 4K49 HFQ 0.02265 0.4377 5.88235
64 4H2D FMN 0.008522 0.44128 6.06061
65 2BW7 ECS 0.0003915 0.54168 6.12245
66 2BW7 APC 0.001386 0.52018 6.12245
67 4O1P ANP 0.003684 0.44555 6.12245
68 5UKL SIX 0.01484 0.43593 6.12245
69 5LI1 ANP 0.007424 0.43221 6.12245
70 3V4S ADP 0.02369 0.42975 6.12245
71 4WNK 453 0.02257 0.41531 6.12245
72 3PVW QRX 0.02799 0.40604 6.12245
73 4WZ8 3W7 0.02352 0.40314 6.12245
74 1HDR NAD 0.02422 0.43453 6.14754
75 3VPC ADP 0.02934 0.4067 6.38298
76 2YIP YIO 0.004942 0.40094 6.52174
77 1VQ2 DDN 0.005959 0.42735 6.73575
78 4OAV ACP 0.006159 0.4265 6.80272
79 5JZJ AN2 0.01154 0.41353 6.80272
80 1F2U ATP 0.0174 0.4074 6.80272
81 3N26 ARG 0.006485 0.40141 6.80272
82 2X24 X24 0.01704 0.40125 6.80272
83 4CQE CQE 0.03626 0.40711 6.83453
84 3MEH THP 0.0007779 0.47762 6.99301
85 2VN9 GVD 0.002586 0.44005 7.43243
86 2QCS ANP 0.006569 0.42973 7.43243
87 2GU8 796 0.0276 0.42408 7.43243
88 1RE8 BD2 0.02517 0.4123 7.43243
89 2VZ6 FEF 0.00999 0.4029 7.43243
90 1WPY BTN 0.005824 0.45617 7.48299
91 2DXU BT5 0.009415 0.44985 7.48299
92 4JR7 GNP 0.007012 0.425 7.48299
93 4OUC 5ID 0.01204 0.42216 7.48299
94 5GXU FMN 0.01233 0.418 7.48299
95 3WO0 ALA 0.02752 0.41595 7.48299
96 1G1T SIA GAL MAG FUC 0.006314 0.4227 7.64331
97 2Q97 ATP 0.04935 0.40791 7.75194
98 2I8T GDD 0.00734 0.44244 7.78443
99 1RYA GDP 0.01039 0.44425 8.125
100 1JG3 VAL TYR PRO IAS HIS ALA 0.00517 0.43744 8.16327
101 1TLC DGP 0.01059 0.41519 8.16327
102 2DW7 SRT 0.01203 0.40891 8.16327
103 3RZ3 U94 0.006485 0.4352 8.19672
104 3KN5 ANP 0.01169 0.41454 8.44595
105 3DAK ANP 0.01121 0.40972 8.62069
106 1VD3 U2P 0.02358 0.40549 8.75576
107 5LVP ATP 0.001005 0.4736 8.84354
108 1RC0 KT5 0.007775 0.4464 8.84354
109 3OFM 4B0 0.003429 0.4427 8.84354
110 4C2W ANP 0.004349 0.4301 8.84354
111 5EYK 5U5 0.01324 0.42502 8.84354
112 3T58 FAD 0.01906 0.40553 8.84354
113 4N9I PCG 0.04967 0.40249 8.84354
114 1L3I SAH 0.008235 0.43416 8.85417
115 2ZFZ ARG 0.03069 0.43132 8.86076
116 3FHI ANP 0.01103 0.41245 9.09091
117 3KLL MAL 0.04496 0.40165 9.45946
118 2PVF ACP 0.001675 0.46333 9.52381
119 2VG1 FPP 0.006595 0.44946 9.52381
120 5M06 ADP 0.005778 0.42829 9.52381
121 1UNH IXM 0.007035 0.42106 9.52381
122 3O0G 3O0 0.01008 0.41086 9.52381
123 3ABI NAD 0.04876 0.40993 9.52381
124 4J7U YTZ 0.04265 0.40542 9.52381
125 4J7U NAP 0.04265 0.40542 9.52381
126 4URN NOV 0.006921 0.4084 9.77778
127 2WZ5 MET 0.002065 0.41963 9.80392
128 1GAR U89 0.01912 0.42306 9.90566
129 1UPT GTP 0.02845 0.40145 10
130 3Q60 ATP 0.01796 0.40708 10.1351
131 3FUR Z12 0.001146 0.51252 10.2041
132 2HFP NSI 0.004598 0.46551 10.2041
133 2IO8 ADP 0.006778 0.44556 10.2041
134 3H0A D30 0.01072 0.43821 10.2041
135 3G9E RO7 0.01368 0.43554 10.2041
136 4FL3 ANP 0.005821 0.42744 10.2041
137 4WQQ MAN 0.007918 0.40187 10.6383
138 4K3P ACE GLN LEU ALA LEU PHE 0.006511 0.43792 10.8108
139 1ZP9 ATP 0.01889 0.40261 10.8527
140 1ZTH ADP 0.01436 0.40089 10.8527
141 3LU1 NAD 0.02934 0.40546 10.8844
142 5FI4 5XV 0.0275 0.40067 10.8844
143 5D63 FUC GAL GLA 0.00001918 0.60544 10.9215
144 5D63 FUC GLA GLA 0.00002563 0.56727 10.9215
145 3RE4 TO1 0.008107 0.4115 11.2403
146 1CZR FMN 0.007997 0.43456 11.2426
147 5AX9 4KT 0.01825 0.40527 11.4865
148 1OBD ATP 0.0174 0.40051 11.4865
149 1PDZ PGA 0.003087 0.41727 11.5646
150 1TIW TFB 0.04526 0.40419 11.5646
151 1TIW FAD 0.04526 0.40419 11.5646
152 4CLI 5P8 0.042 0.40339 11.5646
153 4O8A FAD 0.03657 0.40259 11.5646
154 1U5R ATP 0.02189 0.40234 11.5646
155 3U5S FAD 0.009447 0.4051 11.9048
156 4NP3 2L2 0.01022 0.436 12.2449
157 3T1A 5MA 0.01517 0.40942 12.2449
158 4O6M C5P 0.01096 0.404 12.2449
159 4ONC 40B 0.004417 0.46654 12.3239
160 4CFU 2WC 0.01158 0.4101 12.5954
161 4ZGR NGA GAL 0.000000001097 0.64573 12.9252
162 2PYW ADP 0.003458 0.44948 12.9252
163 2YAB AMP 0.01127 0.4166 12.9252
164 4HEQ FMN 0.01188 0.40582 13.0137
165 4FE2 ADP 0.008303 0.41265 13.3333
166 5F90 GLA GAL BGC 5VQ 0.0001307 0.49323 13.6054
167 5F90 GLA GAL 0.0001075 0.49254 13.6054
168 5F90 LMR 0.0006671 0.45296 13.6054
169 3E5A VX6 0.006374 0.43303 13.6364
170 2JLD AG1 0.03098 0.41665 14.1892
171 2GQS ADP 0.003323 0.44082 14.2857
172 1O3Y GTP 0.02796 0.40853 14.2857
173 2FCR FMN 0.01423 0.41495 14.966
174 4U03 TLL 0.04918 0.40219 14.966
175 5UIU 8CG 0.007691 0.44198 15.6463
176 2R40 20E 0.03645 0.4106 15.7895
177 1KNM LAT 0.00000000002569 0.87235 16.1538
178 2QV6 GTP 0.0005193 0.47988 16.3265
179 3VOT ADP 0.004262 0.43265 16.3265
180 1RE0 AFB 0.008354 0.41263 16.3265
181 3PLS ANP 0.001668 0.47785 16.8919
182 5MUA GAL 0.000000001008 0.57003 17.0068
183 4K33 ACP 0.001707 0.46771 17.0068
184 5BVE 4VG 0.04255 0.41607 17.0068
185 3VYK MMA MAN NAG MAN NAG NAG 0.01164 0.40858 17.8295
186 5C1P ADP 0.00629 0.4277 18.3673
187 5C1P DAL DAL 0.01291 0.42725 18.3673
188 3K5I ADP 0.01729 0.4076 18.9189
189 2D24 XYS XYS 0.0000000003109 0.73601 19.7279
190 3T7V SAM 0.02108 0.41545 19.9324
191 2ZQO NGA 0.0000000002603 0.82482 20
192 3VRY B43 0.007185 0.43005 20.4082
193 3NBC LAT 0.000000005237 0.7491 23.1293
194 4O6W ACE PRO LEU 2SO SER TPO NH2 0.03911 0.40216 25.8503
195 2OHV NHL 0.03582 0.41293 27.2109
196 1CS4 101 0.001741 0.47178 33.3333
Pocket No.: 2; Query (leader) PDB : 4LO2; Ligand: GAL BGC; Similar sites found: 44
This union binding pocket(no: 2) in the query (biounit: 4lo2.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DXD 9PC 0.003045 0.46999 2.36486
2 1KPH 10A 0.02065 0.40485 2.43902
3 1RJ9 GCP 0.04466 0.4046 3.37838
4 5VC5 96M 0.007341 0.42446 3.40136
5 3GF4 UPG 0.02338 0.43351 4.08163
6 3GF4 FAD 0.02859 0.42142 4.08163
7 4WB6 ATP 0.009336 0.41717 4.08163
8 2DJH 3PD UM3 0.01283 0.41236 4.34783
9 1Z2I NAD 0.0375 0.406 4.39189
10 3FVQ ATP 0.01083 0.42463 4.7619
11 3VHE 42Q 0.03437 0.41034 4.7619
12 4S3R 7SA 0.01774 0.41016 4.7619
13 2Q16 ITT 0.01291 0.41738 5.02283
14 4P32 ADP 0.01296 0.40751 5.62249
15 4N65 AQN 0.03378 0.40766 5.66038
16 4N65 FMN 0.04281 0.40431 5.66038
17 3HDY FAD 0.0301 0.41586 6.12245
18 1EK6 UPG 0.03499 0.41552 6.12245
19 3E8N ATP 0.02844 0.41211 6.12245
20 3HDY FDA 0.03827 0.41 6.12245
21 2XNJ NAP 0.02079 0.41164 6.76692
22 3D91 REM 0.02968 0.42178 6.80272
23 5FUI APY 0.003622 0.41086 6.81818
24 2X2M X2M 0.00558 0.4378 7.48299
25 4UOX PLP PUT 0.02186 0.40721 7.48299
26 4RPL 3UC 0.03698 0.41242 7.77027
27 3IDB ANP 0.007593 0.42134 8.07453
28 3KMW ATP 0.02455 0.40121 8.52713
29 4C2V YJA 0.008198 0.43413 8.84354
30 1P72 ADP 0.01245 0.42301 9.7973
31 3KDU NKS 0.02211 0.43167 10.8844
32 1N4W FAD 0.01815 0.41297 10.8844
33 4ER2 IVA VAL VAL STA ALA STA 0.04178 0.40842 10.8844
34 4TXE 38F 0.017 0.40614 10.8844
35 1MEX RAC 0.009927 0.42318 12.2066
36 1LSH PLD 0.03715 0.40463 12.2449
37 3GQI ACP 0.01863 0.40726 12.9252
38 3RLF ANP 0.01224 0.41483 13.6054
39 3BZ3 YAM 0.04728 0.41126 13.6054
40 3UH0 TSB 0.009593 0.43971 13.8514
41 3F7Z 34O 0.005555 0.42296 13.8514
42 2JEN GLC GLC BGC XYS BGC XYS 0.02998 0.40756 14.2857
43 1UBY DMA 0.02821 0.4117 17.6871
44 2IFW ACE PHE LYS PHE PSA LEU AAR 0.03457 0.4105 20.4082
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