Receptor
PDB id Resolution Class Description Source Keywords
3vdb 2.05 Å EC: 3.2.1.23 E. COLI (LACZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH GALACTONOLACTONE ESCHERICHIA COLI TRANSITION STATE STABILIZATION SUBSTRATE BINDING 2-STAGE BTIM BARREL (ALPHA/BETA BARREL) JELLY-ROLL BARREL IMMUNOGLBETA SUPERSANDWICH GLYCOSIDASE HYDROLASE
Ref.: SUBSTITUTION FOR ASN460 CRIPPLES {BETA}-GALACTOSIDA (ESCHERICHIA COLI) BY INCREASING SUBSTRATE AFFINITY DECREASING TRANSITION STATE STABILITY. ARCH.BIOCHEM.BIOPHYS. V. 521 51 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
149 A:2001;
B:2001;
C:2001;
D:2001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 3.03 mM
178.14 C6 H10 O6 C([C@...
DMS A:8001;
A:8002;
A:8003;
A:8004;
A:8005;
A:8006;
A:8007;
A:8008;
A:8009;
A:8010;
A:8011;
A:8012;
A:8013;
A:8014;
A:8015;
A:8016;
A:8017;
A:8018;
B:8001;
B:8002;
B:8003;
B:8004;
B:8005;
B:8006;
B:8007;
B:8008;
B:8009;
B:8010;
B:8011;
B:8012;
B:8013;
B:8014;
B:8015;
B:8016;
B:8017;
B:8018;
B:8019;
B:8020;
B:8021;
B:8022;
B:8023;
C:8001;
C:8002;
C:8003;
C:8004;
C:8005;
C:8006;
C:8007;
C:8008;
C:8009;
C:8010;
C:8011;
C:8012;
C:8013;
C:8014;
C:8015;
C:8016;
C:8017;
C:8018;
C:8019;
C:8020;
C:8021;
D:8001;
D:8002;
D:8003;
D:8004;
D:8005;
D:8006;
D:8007;
D:8008;
D:8009;
D:8010;
D:8011;
D:8012;
D:8013;
D:8014;
D:8015;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
MG A:3001;
A:3002;
B:3001;
B:3002;
B:3007;
C:3001;
C:3002;
D:3001;
D:3002;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:3101;
A:3102;
A:3103;
B:3101;
B:3102;
B:3103;
B:3104;
C:3101;
C:3102;
C:3103;
D:3101;
D:3102;
D:3103;
D:3104;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VDB 2.05 Å EC: 3.2.1.23 E. COLI (LACZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH GALACTONOLACTONE ESCHERICHIA COLI TRANSITION STATE STABILIZATION SUBSTRATE BINDING 2-STAGE BTIM BARREL (ALPHA/BETA BARREL) JELLY-ROLL BARREL IMMUNOGLBETA SUPERSANDWICH GLYCOSIDASE HYDROLASE
Ref.: SUBSTITUTION FOR ASN460 CRIPPLES {BETA}-GALACTOSIDA (ESCHERICHIA COLI) BY INCREASING SUBSTRATE AFFINITY DECREASING TRANSITION STATE STABILITY. ARCH.BIOCHEM.BIOPHYS. V. 521 51 2012
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3T08 Ki = 0.91 mM IPT C9 H18 O5 S CC(C)S[C@H....
2 3I3B Ki = 5.9 mM 149 C6 H10 O6 C([C@@H]1[....
3 1JYW - 147 C12 H15 N O8 c1cc(ccc1[....
4 3VD9 Ki = 0.1 mM IPT C9 H18 O5 S CC(C)S[C@H....
5 3T09 Ki = 0.16 mM 149 C6 H10 O6 C([C@@H]1[....
6 3T2Q Ki = 0.22 mM 149 C6 H10 O6 C([C@@H]1[....
7 1JYN - BGC GAL n/a n/a
8 1JZ7 Ki ~ 400 mM GAL C6 H12 O6 C([C@@H]1[....
9 3CZJ - 149 C6 H10 O6 C([C@@H]1[....
10 3VDB Ki = 3.03 mM 149 C6 H10 O6 C([C@@H]1[....
11 3T0D Ki = 4.3 mM 149 C6 H10 O6 C([C@@H]1[....
12 1JZ8 - TAR C4 H6 O6 [C@H]([C@@....
13 1PX4 Ki = 0.59 mM IPT C9 H18 O5 S CC(C)S[C@H....
14 4DUW - BGC GAL n/a n/a
15 3T0B Ki = 0.05 mM IPT C9 H18 O5 S CC(C)S[C@H....
16 1JZ5 - 149 C6 H10 O6 C([C@@H]1[....
17 1JYV - 145 C12 H15 N O8 c1ccc(c(c1....
18 1JYX - IPT C9 H18 O5 S CC(C)S[C@H....
19 1JZ6 - GTZ C6 H10 N4 O4 C([C@@H]1[....
20 3VD4 Ki = 0.015 mM IPT C9 H18 O5 S CC(C)S[C@H....
21 4DUX - 0MK C5 H10 O5 C1[C@@H]([....
22 3I3D Ki = 10.3 mM IPT C9 H18 O5 S CC(C)S[C@H....
23 3DYO Ki = 5 mM IPT C9 H18 O5 S CC(C)S[C@H....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3T08 Ki = 0.91 mM IPT C9 H18 O5 S CC(C)S[C@H....
2 3I3B Ki = 5.9 mM 149 C6 H10 O6 C([C@@H]1[....
3 1JYW - 147 C12 H15 N O8 c1cc(ccc1[....
4 3VD9 Ki = 0.1 mM IPT C9 H18 O5 S CC(C)S[C@H....
5 3T09 Ki = 0.16 mM 149 C6 H10 O6 C([C@@H]1[....
6 3T2Q Ki = 0.22 mM 149 C6 H10 O6 C([C@@H]1[....
7 1JYN - BGC GAL n/a n/a
8 1JZ7 Ki ~ 400 mM GAL C6 H12 O6 C([C@@H]1[....
9 3CZJ - 149 C6 H10 O6 C([C@@H]1[....
10 3VDB Ki = 3.03 mM 149 C6 H10 O6 C([C@@H]1[....
11 3T0D Ki = 4.3 mM 149 C6 H10 O6 C([C@@H]1[....
12 1JZ8 - TAR C4 H6 O6 [C@H]([C@@....
13 1PX4 Ki = 0.59 mM IPT C9 H18 O5 S CC(C)S[C@H....
14 4DUW - BGC GAL n/a n/a
15 3T0B Ki = 0.05 mM IPT C9 H18 O5 S CC(C)S[C@H....
16 1JZ5 - 149 C6 H10 O6 C([C@@H]1[....
17 1JYV - 145 C12 H15 N O8 c1ccc(c(c1....
18 1JYX - IPT C9 H18 O5 S CC(C)S[C@H....
19 1JZ6 - GTZ C6 H10 N4 O4 C([C@@H]1[....
20 3VD4 Ki = 0.015 mM IPT C9 H18 O5 S CC(C)S[C@H....
21 4DUX - 0MK C5 H10 O5 C1[C@@H]([....
22 3I3D Ki = 10.3 mM IPT C9 H18 O5 S CC(C)S[C@H....
23 3DYO Ki = 5 mM IPT C9 H18 O5 S CC(C)S[C@H....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3T08 Ki = 0.91 mM IPT C9 H18 O5 S CC(C)S[C@H....
2 3I3B Ki = 5.9 mM 149 C6 H10 O6 C([C@@H]1[....
3 1JYW - 147 C12 H15 N O8 c1cc(ccc1[....
4 3VD9 Ki = 0.1 mM IPT C9 H18 O5 S CC(C)S[C@H....
5 3T09 Ki = 0.16 mM 149 C6 H10 O6 C([C@@H]1[....
6 3T2Q Ki = 0.22 mM 149 C6 H10 O6 C([C@@H]1[....
7 1JYN - BGC GAL n/a n/a
8 1JZ7 Ki ~ 400 mM GAL C6 H12 O6 C([C@@H]1[....
9 3CZJ - 149 C6 H10 O6 C([C@@H]1[....
10 3VDB Ki = 3.03 mM 149 C6 H10 O6 C([C@@H]1[....
11 3T0D Ki = 4.3 mM 149 C6 H10 O6 C([C@@H]1[....
12 1JZ8 - TAR C4 H6 O6 [C@H]([C@@....
13 1PX4 Ki = 0.59 mM IPT C9 H18 O5 S CC(C)S[C@H....
14 4DUW - BGC GAL n/a n/a
15 3T0B Ki = 0.05 mM IPT C9 H18 O5 S CC(C)S[C@H....
16 1JZ5 - 149 C6 H10 O6 C([C@@H]1[....
17 1JYV - 145 C12 H15 N O8 c1ccc(c(c1....
18 1JYX - IPT C9 H18 O5 S CC(C)S[C@H....
19 1JZ6 - GTZ C6 H10 N4 O4 C([C@@H]1[....
20 3VD4 Ki = 0.015 mM IPT C9 H18 O5 S CC(C)S[C@H....
21 4DUX - 0MK C5 H10 O5 C1[C@@H]([....
22 3I3D Ki = 10.3 mM IPT C9 H18 O5 S CC(C)S[C@H....
23 3DYO Ki = 5 mM IPT C9 H18 O5 S CC(C)S[C@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 149; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 8S0 1 1
2 149 1 1
3 LGC 1 1
4 GDL 0.404255 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: 149; Similar ligands found: 1163
No: Ligand Similarity coefficient
1 GLA 1.0000
2 GAL 1.0000
3 2FG 1.0000
4 GAF 0.9995
5 1GN 0.9980
6 2H5 0.9977
7 MBG 0.9888
8 YIO 0.9874
9 X6X 0.9838
10 GTR 0.9745
11 DGJ 0.9720
12 GLC 0.9719
13 BGC 0.9713
14 FCB 0.9705
15 G3F 0.9695
16 IF7 0.9694
17 15L 0.9694
18 EMZ 0.9688
19 RNS 0.9674
20 RM4 0.9653
21 ADA 0.9635
22 GTL 0.9631
23 GCS 0.9602
24 7D2 0.9559
25 GDE 0.9542
26 DHK 0.9529
27 G6D 0.9526
28 FH2 0.9524
29 4XV 0.9518
30 AFR 0.9510
31 FDK 0.9499
32 GIF 0.9498
33 ALL 0.9498
34 KBG 0.9484
35 T6C 0.9480
36 FUC 0.9456
37 GCB 0.9456
38 MAN 0.9456
39 JIF 0.9455
40 7MH 0.9455
41 EVA 0.9454
42 AMG 0.9453
43 CWM 0.9437
44 AGK 0.9437
45 FCA 0.9437
46 SOE 0.9432
47 G4D 0.9431
48 INS 0.9417
49 GOX 0.9416
50 35C 0.9414
51 3MG 0.9411
52 ES0 0.9405
53 Q88 0.9402
54 0MK 0.9402
55 NOJ 0.9401
56 GIV 0.9400
57 4XS 0.9399
58 GTZ 0.9395
59 JFD 0.9392
60 SHG 0.9389
61 FGZ 0.9387
62 WOO 0.9385
63 XAN 0.9382
64 2D0 0.9375
65 LRH 0.9371
66 TBP 0.9368
67 QSH 0.9367
68 25W 0.9367
69 KOJ 0.9365
70 GCU 0.9364
71 XXR 0.9362
72 9PY 0.9362
73 BDP 0.9360
74 V55 0.9360
75 IFL 0.9355
76 BMA 0.9355
77 GLT 0.9353
78 GXL 0.9349
79 948 0.9349
80 GUN 0.9349
81 67N 0.9337
82 GYP 0.9337
83 ASC 0.9335
84 DQA 0.9334
85 MMA 0.9332
86 I1N 0.9328
87 0CU 0.9328
88 HX3 0.9326
89 B53 0.9323
90 2GS 0.9323
91 SKM 0.9323
92 OMD 0.9322
93 2A7 0.9319
94 PFB 0.9319
95 RAM 0.9313
96 FUL 0.9310
97 7WR 0.9306
98 PXL 0.9305
99 9DG 0.9299
100 FDB 0.9298
101 ASO 0.9298
102 YH7 0.9294
103 IV2 0.9294
104 FP1 0.9293
105 2XX 0.9292
106 HH5 0.9291
107 94B 0.9289
108 CTS 0.9287
109 SOR 0.9286
110 NOY 0.9284
111 F5B 0.9281
112 8WT 0.9279
113 PA1 0.9275
114 EXO 0.9272
115 261 0.9270
116 APZ 0.9269
117 XYP 0.9268
118 ORO 0.9264
119 G2F 0.9261
120 URC 0.9260
121 3IT 0.9258
122 ABE 0.9257
123 GCO 0.9253
124 DHB 0.9251
125 5SG 0.9251
126 N5J 0.9248
127 ES1 0.9247
128 3DO 0.9247
129 O72 0.9244
130 GIO 0.9244
131 MFU 0.9244
132 S76 0.9243
133 I3A 0.9243
134 MRW 0.9242
135 5Q0 0.9241
136 23A 0.9240
137 DZX 0.9240
138 1LQ 0.9240
139 1NP 0.9239
140 JPZ 0.9239
141 JBH 0.9239
142 A7W 0.9239
143 P9P 0.9239
144 M1A 0.9238
145 AZ9 0.9238
146 ARW 0.9237
147 B57 0.9235
148 DOR 0.9235
149 LKA 0.9234
150 F0J 0.9232
151 6GU 0.9231
152 KJH 0.9231
153 4NC 0.9231
154 XX2 0.9231
155 BDF 0.9231
156 UAN 0.9231
157 P3K 0.9230
158 HQY 0.9230
159 LCN 0.9230
160 AHR 0.9229
161 ZZ3 0.9229
162 IJZ 0.9228
163 4A3 0.9227
164 Q6T 0.9227
165 OXC 0.9227
166 4AA 0.9226
167 5IQ 0.9225
168 1SQ 0.9225
169 FHB 0.9225
170 FA0 0.9224
171 495 0.9222
172 0P6 0.9222
173 NNO 0.9219
174 3XX 0.9219
175 D1X 0.9218
176 4XR 0.9218
177 93K 0.9217
178 1XM 0.9216
179 MT0 0.9216
180 12Q 0.9215
181 5QX 0.9215
182 BTE 0.9215
183 6AP 0.9214
184 2HO 0.9214
185 3HM 0.9212
186 INO 0.9211
187 LXC 0.9211
188 HZQ 0.9210
189 HPA 0.9210
190 4YS 0.9209
191 MYJ 0.9205
192 GLF 0.9200
193 7W1 0.9199
194 JLZ 0.9199
195 FA3 0.9198
196 HQD 0.9196
197 2A9 0.9196
198 7VJ 0.9195
199 SYA 0.9195
200 BOA 0.9191
201 9TW 0.9191
202 TEP 0.9191
203 KIB 0.9190
204 329 0.9189
205 AZA 0.9186
206 FOT 0.9186
207 MFB 0.9183
208 CHB 0.9181
209 B55 0.9181
210 42C 0.9180
211 X05 0.9180
212 DIN 0.9179
213 CWS 0.9179
214 7HQ 0.9179
215 AKH 0.9179
216 DMJ 0.9179
217 1LM 0.9178
218 3Z8 0.9173
219 4M4 0.9169
220 XQG 0.9168
221 IFM 0.9168
222 A2F 0.9166
223 7HP 0.9166
224 8TX 0.9166
225 QPR 0.9165
226 HQT 0.9164
227 FHN 0.9164
228 BTY 0.9163
229 FUF 0.9163
230 QSB 0.9162
231 3RK 0.9162
232 4PW 0.9162
233 DFB 0.9162
234 24W 0.9159
235 ADE 0.9158
236 9MG 0.9158
237 82I 0.9157
238 RPQ 0.9157
239 FYU 0.9157
240 IGA 0.9155
241 LDP 0.9153
242 SF9 0.9153
243 MA3 0.9151
244 FRU 0.9149
245 DX4 0.9147
246 4M0 0.9147
247 10L 0.9146
248 5M0 0.9145
249 LZM 0.9144
250 ZWZ 0.9143
251 SAL 0.9142
252 3HA 0.9141
253 141 0.9140
254 3F0 0.9140
255 ISD 0.9138
256 C2U 0.9138
257 ZB1 0.9138
258 3DM 0.9137
259 QIC 0.9136
260 ISE 0.9136
261 LYL 0.9135
262 VNL 0.9135
263 4HM 0.9135
264 0N7 0.9134
265 UEG 0.9134
266 7WA 0.9133
267 J9W 0.9133
268 VK3 0.9132
269 UNC 0.9131
270 JND 0.9130
271 NQ 0.9130
272 290 0.9129
273 JTH 0.9129
274 KUF 0.9128
275 RIB 0.9128
276 SHA 0.9128
277 HLZ 0.9128
278 5RG 0.9128
279 9DA 0.9125
280 BE2 0.9125
281 9HX 0.9124
282 FUB 0.9124
283 5WX 0.9124
284 75K 0.9123
285 2LP 0.9123
286 54G 0.9123
287 GTQ 0.9122
288 EV0 0.9121
289 5NU 0.9121
290 SWD 0.9121
291 4ME 0.9121
292 BCP 0.9120
293 PRZ 0.9120
294 TNE 0.9120
295 MCT 0.9119
296 ICO 0.9119
297 QWW 0.9118
298 JZ3 0.9118
299 4CL 0.9115
300 2MI 0.9115
301 OXZ 0.9115
302 XAZ 0.9114
303 5RN 0.9114
304 5JQ 0.9113
305 XYS 0.9113
306 7VS 0.9112
307 G5V 0.9112
308 BZ3 0.9112
309 4HO 0.9110
310 AZG 0.9109
311 AS3 0.9109
312 5XC 0.9109
313 AW5 0.9109
314 BCF 0.9108
315 KT7 0.9107
316 NDM 0.9106
317 AZF 0.9106
318 4HC 0.9105
319 KIA 0.9105
320 4JJ 0.9104
321 5JL 0.9104
322 EUG 0.9104
323 34D 0.9104
324 5MK 0.9104
325 NTM 0.9104
326 1XN 0.9103
327 39A 0.9102
328 7NI 0.9102
329 IHB 0.9102
330 HBA 0.9099
331 KJY 0.9099
332 UFV 0.9098
333 SWA 0.9098
334 42A 0.9096
335 5WY 0.9096
336 SKA 0.9096
337 MZG 0.9096
338 27Y 0.9095
339 JZ2 0.9095
340 XIY 0.9095
341 BBF 0.9094
342 LFR 0.9094
343 5CU 0.9094
344 ABV 0.9093
345 2ZQ 0.9093
346 P92 0.9092
347 B0D 0.9092
348 URF 0.9091
349 DOB 0.9090
350 XBZ 0.9090
351 HDL 0.9090
352 DBH 0.9090
353 K3Q 0.9090
354 3M0 0.9090
355 8CM 0.9089
356 5OB 0.9089
357 CGB 0.9089
358 92K 0.9088
359 F81 0.9088
360 IPZ 0.9087
361 TTL 0.9086
362 1P7 0.9084
363 NGO 0.9082
364 DQN 0.9082
365 BP1 0.9081
366 HH8 0.9081
367 7B4 0.9081
368 RAT 0.9080
369 9TZ 0.9080
370 03V 0.9078
371 X09 0.9078
372 5CL 0.9077
373 MSN 0.9077
374 PSV 0.9075
375 JB5 0.9074
376 AX7 0.9074
377 270 0.9074
378 1MC 0.9073
379 5JC 0.9072
380 BR9 0.9072
381 6UA 0.9072
382 2EC 0.9071
383 MWJ 0.9070
384 8IG 0.9070
385 GYE 0.9070
386 6MP 0.9068
387 BHA 0.9067
388 HFB 0.9066
389 CFP 0.9063
390 HMH 0.9063
391 RXA 0.9062
392 4XH 0.9061
393 8H8 0.9061
394 2AL 0.9061
395 IBF 0.9060
396 KKN 0.9060
397 WBU 0.9060
398 5RO 0.9060
399 PYQ 0.9059
400 E7Z 0.9058
401 7ZE 0.9058
402 2AC 0.9056
403 MIG 0.9056
404 PHT 0.9056
405 IP0 0.9056
406 YSO 0.9054
407 NID 0.9053
408 5MH 0.9053
409 BK9 0.9052
410 PYD 0.9051
411 QOS 0.9049
412 GOO 0.9049
413 5WU 0.9049
414 CN0 0.9048
415 R2B 0.9048
416 A1U 0.9047
417 TDR 0.9046
418 4FS 0.9046
419 F31 0.9045
420 R8V 0.9045
421 12B 0.9043
422 2ZX 0.9043
423 6AI 0.9043
424 6CS 0.9042
425 PE0 0.9041
426 ICP 0.9041
427 2AQ 0.9041
428 DIU 0.9041
429 QBK 0.9040
430 XYD 0.9040
431 4CS 0.9039
432 LSA 0.9039
433 PTO 0.9039
434 FE DB1 0.9038
435 3Z7 0.9037
436 HNQ 0.9037
437 1M2 0.9036
438 F3B 0.9035
439 86J 0.9035
440 HHA 0.9035
441 FA6 0.9034
442 BZX 0.9033
443 CTL 0.9033
444 SFU 0.9033
445 FA1 0.9033
446 DHS 0.9032
447 ES5 0.9031
448 PM6 0.9030
449 NSG 0.9029
450 GNL 0.9029
451 COU 0.9029
452 EOL 0.9029
453 BNT 0.9029
454 PHB 0.9027
455 2YU 0.9025
456 DRL 0.9025
457 ZXD 0.9024
458 Q24 0.9024
459 HJP 0.9024
460 SR1 0.9023
461 5B1 0.9022
462 8WO 0.9022
463 4ZE 0.9021
464 TFU 0.9021
465 GOG 0.9021
466 ISN 0.9020
467 HA7 0.9020
468 EA1 0.9018
469 NDH 0.9018
470 GM7 0.9017
471 GJS 0.9017
472 PCI 0.9015
473 6HQ 0.9015
474 4VP 0.9014
475 DNC 0.9014
476 N7P 0.9014
477 DBJ 0.9013
478 QX2 0.9013
479 ARB 0.9012
480 SRT 0.9011
481 MNM 0.9011
482 6F0 0.9011
483 1AB 0.9010
484 INE 0.9010
485 JKE 0.9010
486 ES4 0.9009
487 QAT 0.9009
488 23J 0.9009
489 KLW 0.9009
490 VNJ 0.9009
491 AZ8 0.9008
492 HT4 0.9007
493 HXX 0.9007
494 34A 0.9006
495 TM7 0.9006
496 H8N 0.9005
497 N8Y 0.9005
498 3WA 0.9005
499 Y8I 0.9004
500 UFO 0.9004
501 Z6J 0.9004
502 PXM 0.9003
503 MWM 0.9002
504 286 0.9002
505 3AY 0.9001
506 ES7 0.9000
507 SYV 0.9000
508 NPO 0.9000
509 2MP 0.8997
510 ET2 0.8996
511 5ZE 0.8993
512 IPM 0.8992
513 5DI 0.8991
514 ERH 0.8990
515 TH0 0.8990
516 H33 0.8990
517 RIP 0.8990
518 SKG 0.8989
519 TH7 0.8989
520 M0W 0.8988
521 6VD 0.8988
522 TTY 0.8985
523 NK 0.8985
524 KPL 0.8985
525 R8A 0.8985
526 5WV 0.8984
527 PZI 0.8984
528 0HO 0.8984
529 O2A 0.8984
530 CFF 0.8983
531 QDK 0.8982
532 KYA 0.8982
533 ES6 0.8982
534 MR1 0.8981
535 MO8 0.8980
536 TAR 0.8980
537 AX2 0.8978
538 ES2 0.8978
539 SEJ 0.8978
540 RM1 0.8977
541 2HQ 0.8977
542 209 0.8976
543 DIE 0.8975
544 MS9 0.8973
545 ARA 0.8973
546 M5K 0.8972
547 2BG 0.8972
548 DEE 0.8971
549 3FH 0.8971
550 XUL 0.8970
551 5AN 0.8970
552 12M 0.8969
553 GZ8 0.8969
554 PRF 0.8969
555 BEA 0.8968
556 NVU 0.8968
557 DFU 0.8967
558 FPK 0.8967
559 II6 0.8966
560 OVV 0.8966
561 7W4 0.8965
562 ADK 0.8965
563 L99 0.8964
564 MEW 0.8963
565 CLW 0.8962
566 3HB 0.8962
567 5VM 0.8961
568 95Z 0.8961
569 0R0 0.8961
570 T9G 0.8960
571 JBK 0.8959
572 13X 0.8959
573 4MU 0.8958
574 SF6 0.8958
575 3BU 0.8957
576 OCH 0.8956
577 36R 0.8956
578 5UC 0.8956
579 HMU 0.8956
580 6M4 0.8956
581 3U4 0.8955
582 H7Y 0.8955
583 VOH 0.8955
584 37T 0.8954
585 AUD 0.8954
586 ES9 0.8953
587 0TR 0.8953
588 IUP 0.8953
589 JUG 0.8952
590 1P8 0.8952
591 AQO 0.8951
592 SX1 0.8951
593 QAS 0.8950
594 N8P 0.8950
595 4ZC 0.8949
596 JAE 0.8949
597 M6N 0.8949
598 GRE 0.8949
599 AJ2 0.8948
600 11S 0.8948
601 8ZE 0.8948
602 680 0.8948
603 NTZ 0.8948
604 1WG 0.8947
605 G1O 0.8946
606 ADZ 0.8945
607 F9Y 0.8945
608 8W9 0.8945
609 2DR 0.8945
610 BCU 0.8944
611 PYG 0.8944
612 BR8 0.8943
613 SXS 0.8943
614 14O 0.8942
615 43M 0.8942
616 SJ5 0.8942
617 64K 0.8942
618 5MI 0.8941
619 5MB 0.8941
620 F34 0.8941
621 3MB 0.8940
622 XQ0 0.8939
623 H4N 0.8938
624 5H1 0.8938
625 ZZT 0.8938
626 6LW 0.8937
627 293 0.8937
628 X0V 0.8937
629 VGD 0.8936
630 JBQ 0.8935
631 M0Q 0.8934
632 4RW 0.8934
633 53C 0.8934
634 3NT 0.8933
635 0W8 0.8933
636 BSX 0.8932
637 H42 0.8931
638 IFP 0.8931
639 PAB 0.8930
640 EKZ 0.8930
641 GAB 0.8930
642 DIG 0.8929
643 57O 0.8929
644 BDR 0.8928
645 JFJ 0.8928
646 92P 0.8927
647 FBB 0.8926
648 YRL 0.8926
649 R8S 0.8923
650 FPY 0.8923
651 TCZ 0.8923
652 B2J 0.8923
653 XM0 0.8923
654 97T 0.8922
655 FB1 0.8922
656 HIO 0.8921
657 1F1 0.8920
658 ZZ8 0.8919
659 3RI 0.8918
660 4Z4 0.8918
661 2MN 0.8918
662 FX1 0.8917
663 3SK 0.8917
664 DPZ 0.8916
665 F05 0.8916
666 3ID 0.8914
667 42J 0.8914
668 4P0 0.8914
669 WDL 0.8911
670 9KT 0.8911
671 0FN 0.8911
672 FK1 0.8910
673 LNR 0.8910
674 HBD 0.8910
675 AEH 0.8910
676 5HY 0.8909
677 F60 0.8909
678 NSP 0.8908
679 B62 0.8907
680 32O 0.8907
681 717 0.8905
682 0HN 0.8905
683 A13 0.8905
684 PQ0 0.8904
685 1WD 0.8904
686 2LY 0.8903
687 SVD 0.8903
688 4JO 0.8902
689 39O 0.8902
690 4NG 0.8902
691 TSS 0.8901
692 ENL 0.8900
693 KG1 0.8900
694 KP6 0.8900
695 2CQ 0.8899
696 M1Q 0.8899
697 6M1 0.8899
698 6NT 0.8898
699 N2I 0.8895
700 DHY 0.8895
701 5QY 0.8894
702 4SV 0.8894
703 JBE 0.8893
704 D07 0.8892
705 TLD 0.8888
706 3OC 0.8888
707 PDC 0.8888
708 K2T 0.8887
709 LI6 0.8887
710 24B 0.8887
711 826 0.8886
712 GXY 0.8886
713 M1H 0.8885
714 IUR 0.8884
715 3AB 0.8882
716 8XQ 0.8881
717 3MA 0.8880
718 1Y6 0.8880
719 6KX 0.8880
720 NGT 0.8880
721 NGW 0.8880
722 YTB 0.8880
723 44V 0.8877
724 9EW 0.8877
725 EDG 0.8877
726 AX3 0.8877
727 XHP 0.8876
728 NPY 0.8874
729 P72 0.8874
730 2CZ 0.8874
731 RHU 0.8873
732 ROR 0.8871
733 3A9 0.8871
734 JKZ 0.8869
735 AIN 0.8869
736 Z5P 0.8869
737 JZ1 0.8869
738 G8M 0.8868
739 5FN 0.8868
740 2ZM 0.8868
741 GIM 0.8868
742 2K4 0.8867
743 4JM 0.8866
744 6ME 0.8866
745 34V 0.8866
746 NMJ 0.8865
747 YQA 0.8865
748 3NY 0.8865
749 OTW 0.8864
750 QUZ 0.8864
751 7WV 0.8864
752 0LH 0.8864
753 GZL 0.8864
754 TSR 0.8863
755 CLZ 0.8863
756 QX4 0.8863
757 AC6 0.8863
758 1PT 0.8863
759 1LN 0.8862
760 4MA 0.8860
761 JZ4 0.8860
762 KGK 0.8860
763 AH8 0.8859
764 C2A 0.8858
765 6XI 0.8857
766 DQU 0.8856
767 PBZ 0.8856
768 KDF 0.8856
769 150 0.8855
770 ABI 0.8855
771 5HN 0.8854
772 3CU 0.8853
773 4SX 0.8852
774 FLC 0.8852
775 FBT 0.8852
776 C2Y 0.8851
777 SVN 0.8851
778 F12 0.8850
779 B60 0.8849
780 1DW 0.8849
781 ASN 0.8849
782 L7T 0.8847
783 MVL 0.8846
784 3R6 0.8846
785 M1E 0.8846
786 SR4 0.8846
787 TWO 0.8845
788 J9Q 0.8845
789 7N0 0.8845
790 5NI 0.8844
791 TRA 0.8844
792 FAN 0.8842
793 45C 0.8841
794 PRY 0.8841
795 3BZ 0.8841
796 52C 0.8841
797 XYL 0.8840
798 RB5 0.8840
799 8GC 0.8839
800 PAF 0.8837
801 ESI 0.8837
802 44W 0.8836
803 SW7 0.8834
804 EQT 0.8834
805 4JT 0.8832
806 MUA 0.8831
807 NK2 0.8831
808 8NY 0.8830
809 7ME 0.8830
810 FSW 0.8830
811 AEZ 0.8830
812 2ZV 0.8829
813 4JQ 0.8828
814 GV9 0.8828
815 FBU 0.8827
816 0JD 0.8826
817 GLG 0.8826
818 K5W 0.8826
819 TVP 0.8826
820 DNF 0.8825
821 DMD 0.8825
822 069 0.8825
823 OVM 0.8823
824 2CK 0.8823
825 TOF 0.8823
826 CBF 0.8823
827 0F9 0.8823
828 R9Y 0.8822
829 URQ 0.8821
830 JAW 0.8821
831 2TQ 0.8821
832 Z82 0.8820
833 G3E 0.8819
834 K22 0.8818
835 MJ2 0.8816
836 4YO 0.8816
837 XLS 0.8815
838 FBV 0.8815
839 MQN 0.8814
840 OW4 0.8814
841 FBA 0.8814
842 F4Z 0.8812
843 BRT 0.8811
844 0FO 0.8811
845 BZ2 0.8811
846 OA3 0.8810
847 AEF 0.8810
848 PHH 0.8810
849 2FY 0.8809
850 KTW 0.8809
851 CXF 0.8809
852 4FH 0.8807
853 4TU 0.8807
854 IDH 0.8807
855 2FQ 0.8806
856 R9S 0.8806
857 IPB 0.8805
858 TC7 0.8803
859 J9T 0.8802
860 RUU 0.8801
861 ILE 0.8801
862 ODO 0.8799
863 L3Q 0.8799
864 41K 0.8799
865 TAG 0.8797
866 VXX 0.8797
867 45L 0.8796
868 KYD 0.8795
869 IAC 0.8795
870 GLY PRO 0.8794
871 WCE 0.8793
872 PSJ 0.8793
873 4KL 0.8792
874 174 0.8791
875 3AL 0.8791
876 MXN 0.8791
877 5AC 0.8789
878 2HU 0.8788
879 EYK 0.8788
880 K17 0.8788
881 MWP 0.8787
882 0RW 0.8785
883 H6B 0.8785
884 SRO 0.8784
885 SYR 0.8783
886 4JL 0.8783
887 260 0.8783
888 H76 0.8782
889 RBL 0.8781
890 NCD 0.8781
891 1P3 0.8780
892 K32 0.8778
893 LT2 0.8778
894 3PF 0.8777
895 4FA 0.8776
896 M4E 0.8775
897 NEQ 0.8774
898 9ZE 0.8772
899 KTA 0.8772
900 CIT 0.8772
901 DHR 0.8771
902 6PC 0.8771
903 BHO 0.8770
904 6RQ 0.8769
905 NIZ 0.8769
906 MVN 0.8767
907 NCA 0.8767
908 LDU 0.8764
909 3DY 0.8764
910 8OZ 0.8764
911 MPI 0.8763
912 C2B 0.8763
913 FPI 0.8763
914 6M9 0.8761
915 IDM 0.8761
916 3C7 0.8760
917 IPD 0.8760
918 7CZ 0.8759
919 7B3 0.8759
920 DBX 0.8759
921 7MU 0.8759
922 275 0.8759
923 4P5 0.8759
924 HTP 0.8759
925 GBD 0.8758
926 LZ1 0.8758
927 IND 0.8758
928 PBR 0.8758
929 SYN 0.8758
930 9KH 0.8758
931 I6G 0.8757
932 KFH 0.8757
933 CRS 0.8757
934 9FL 0.8757
935 DEN 0.8756
936 R1X 0.8756
937 39U 0.8754
938 AOS 0.8753
939 F1A 0.8753
940 6NI 0.8753
941 BEN 0.8753
942 9RW 0.8753
943 ESP 0.8752
944 IT9 0.8751
945 06B 0.8750
946 BEZ 0.8749
947 3SL 0.8748
948 XXG 0.8748
949 0TU 0.8747
950 GCW 0.8746
951 NK1 0.8746
952 1AL 0.8745
953 8VN 0.8745
954 HBX 0.8745
955 0W1 0.8745
956 DHQ 0.8745
957 1U6 0.8745
958 AMC 0.8745
959 D48 0.8744
960 V6F 0.8743
961 PHU 0.8743
962 HA5 0.8742
963 KJU 0.8741
964 BAM 0.8741
965 EGR 0.8740
966 MT5 0.8740
967 YHO 0.8740
968 GVH 0.8739
969 3CE 0.8739
970 ISZ 0.8739
971 MZB 0.8738
972 CIP 0.8737
973 FUD 0.8737
974 51R 0.8737
975 SE2 0.8735
976 5NS 0.8735
977 XXP 0.8733
978 IMR 0.8732
979 47J 0.8732
980 JZ9 0.8731
981 DUB 0.8731
982 EJZ 0.8727
983 5GU 0.8727
984 LMR 0.8727
985 GAG 0.8727
986 ASP 0.8726
987 BZI 0.8725
988 HPT 0.8725
989 N2Z 0.8724
990 K2P 0.8723
991 NBG 0.8722
992 HLD 0.8722
993 IOS 0.8721
994 NBZ 0.8721
995 8GK 0.8719
996 6MH 0.8717
997 APS 0.8717
998 0FK 0.8716
999 2PG 0.8715
1000 NBE 0.8714
1001 4WL 0.8713
1002 173 0.8711
1003 12T 0.8710
1004 HHR 0.8709
1005 CKX 0.8709
1006 BML 0.8708
1007 2CL 0.8707
1008 F69 0.8706
1009 URA 0.8705
1010 GRO 0.8704
1011 6OT 0.8704
1012 TBS 0.8703
1013 HDH 0.8702
1014 ONR 0.8702
1015 MET 0.8702
1016 AI2 0.8702
1017 HGQ 0.8700
1018 ARP 0.8699
1019 CFI 0.8699
1020 1U1 0.8698
1021 MLT 0.8698
1022 LT8 0.8697
1023 MBD 0.8697
1024 NIO 0.8697
1025 PBC 0.8697
1026 9R5 0.8696
1027 282 0.8695
1028 32X 0.8695
1029 15N 0.8694
1030 2KA 0.8694
1031 RMN 0.8694
1032 3R9 0.8694
1033 XX3 0.8692
1034 60Q 0.8691
1035 9FE 0.8691
1036 HY3 0.8691
1037 2CM 0.8691
1038 JXN 0.8691
1039 TIU 0.8691
1040 MQB 0.8690
1041 HIS 0.8690
1042 JDN 0.8689
1043 I1E 0.8688
1044 OHP 0.8688
1045 MHK 0.8686
1046 5NE 0.8685
1047 4CH 0.8684
1048 EDR 0.8684
1049 26D 0.8683
1050 TZE 0.8682
1051 TMH 0.8682
1052 FLV 0.8679
1053 XCZ 0.8679
1054 OAA 0.8677
1055 PH2 0.8676
1056 OEM 0.8676
1057 DNA 0.8673
1058 XSP 0.8673
1059 PBE 0.8672
1060 TGX 0.8671
1061 3V4 0.8670
1062 J5I 0.8668
1063 3MC 0.8666
1064 51F 0.8666
1065 NLA 0.8665
1066 QM1 0.8663
1067 PZA 0.8662
1068 TYL 0.8662
1069 60P 0.8656
1070 FBM 0.8656
1071 UNU 0.8656
1072 2MY 0.8654
1073 2C9 0.8653
1074 ANN 0.8651
1075 JB8 0.8649
1076 3FA 0.8648
1077 NTN 0.8648
1078 PX7 0.8645
1079 PEL 0.8645
1080 ABN 0.8645
1081 FFP 0.8644
1082 H62 0.8644
1083 RBJ 0.8644
1084 ITN 0.8644
1085 APY 0.8644
1086 49O 0.8641
1087 4ZA 0.8638
1088 GMN 0.8636
1089 HKD 0.8636
1090 PQK 0.8636
1091 ICB 0.8636
1092 3C4 0.8635
1093 RSO 0.8635
1094 FCR 0.8634
1095 6FZ 0.8633
1096 ZZZ 0.8633
1097 IBM 0.8633
1098 0GZ 0.8633
1099 LAO 0.8633
1100 HY1 0.8629
1101 FLM 0.8627
1102 4VY 0.8627
1103 GLO 0.8627
1104 M58 0.8626
1105 8EZ 0.8624
1106 EXD 0.8623
1107 PD2 0.8623
1108 94W 0.8622
1109 PZM 0.8621
1110 1X7 0.8620
1111 FEH 0.8619
1112 RCO 0.8617
1113 N7I 0.8617
1114 PEP 0.8616
1115 LZ2 0.8615
1116 FDR 0.8614
1117 HQJ 0.8612
1118 7MK 0.8608
1119 VGL 0.8607
1120 1MR 0.8607
1121 HBO 0.8605
1122 HQ9 0.8600
1123 ORN 0.8599
1124 NAG 0.8599
1125 8NX 0.8598
1126 PHE 0.8597
1127 GCV 0.8597
1128 NGA 0.8596
1129 FBW 0.8594
1130 JF2 0.8592
1131 20J 0.8587
1132 H5B 0.8582
1133 GJZ 0.8581
1134 N3W 0.8578
1135 TRC 0.8577
1136 F9P 0.8577
1137 1XA 0.8576
1138 505 0.8572
1139 OTD 0.8570
1140 NBV 0.8569
1141 JR2 0.8567
1142 TSU 0.8565
1143 P84 0.8565
1144 9TY 0.8565
1145 284 0.8564
1146 PEA 0.8555
1147 Q71 0.8553
1148 CEE 0.8548
1149 9X7 0.8548
1150 E3D 0.8547
1151 8VE 0.8544
1152 XQK 0.8538
1153 OK7 0.8536
1154 SAN 0.8535
1155 HHT 0.8535
1156 CDV 0.8533
1157 M6Z 0.8529
1158 UNJ 0.8528
1159 2MH 0.8522
1160 QSC 0.8518
1161 JXW 0.8516
1162 0GY 0.8515
1163 K97 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VDB; Ligand: 149; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3vdb.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VDB; Ligand: 149; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3vdb.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VDB; Ligand: 149; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3vdb.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VDB; Ligand: 149; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3vdb.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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