Receptor
PDB id Resolution Class Description Source Keywords
4UR9 2.2 Å EC: 3.2.1.52 STRUCTURE OF LIGAND BOUND GLYCOSYLHYDROLASE BACTEROIDES THETAIOTAOMICRON HYDROLASE
Ref.: DISCOVERY OF SELECTIVE SMALL-MOLECULE ACTIVATORS OF BACTERIAL GLYCOSIDE HYDROLASE. ANGEW.CHEM.INT.ED.ENGL. V. 53 13419 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:1719;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
OAN A:1718;
B:1718;
 Valid;
Valid;
 none;
none;
 submit data
353.327 C15 H19 N3 O7 CC(=O...
BK9 B:1717;
A:1717;
 Valid;
Valid;
 none;
none;
 Kd = 3.1 mM
174.199 C10 H10 N2 O CCOc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ABH 1.95 Å EC: 3.2.1.52 STRUCTURE OF GH84 WITH LIGAND BACTEROIDES THETAIOTAOMICRON HYDROLASE TIM-BARREL INHIBITOR
Ref.: A CONVENIENT APPROACH TO STEREOISOMERIC IMINOCYCLIT GENERATION OF POTENT BRAIN-PERMEABLE OGA INHIBITORS ANGEW.CHEM.INT.ED.ENGL. V. 54 15429 2015
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2XJ7 Kd = 246 nM GC2 C10 H18 N2 O4 CC(=O)N[C@....
2 2WZH - NGO C8 H14 N O5 CC1=[NH+][....
3 4AIU - GC3 C8 H13 N O6 C([C@@H]1[....
4 2VVS Ki = 46 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
5 2W66 Ki = 89 uM HQ6 C9 H18 N2 O5 CC(=O)N[C@....
6 2X0H - 14T C14 H15 F4 N O6 c1cc(c(cc1....
7 5ABG Ki = 9 nM V0N C17 H25 F N2 O4 CNC(=O)C[C....
8 4AIS - GOA C2 H4 O3 C(C(=O)O)O
9 2XM1 Kd = 8.5 uM LTM C8 H14 N2 O5 CC(=O)N[C@....
10 2W4X Kd = 14 uM STZ C8 H15 N3 O7 CN(C(=O)N[....
11 4UR9 Kd = 3.1 mM BK9 C10 H10 N2 O CCOc1c2ccc....
12 2WCA - NP6 C17 H23 N3 O7 CCCC(=O)N[....
13 2VVN - NHT C9 H16 N2 O4 S CCNC1=N[C@....
14 5ABE Ki = 890 uM XQO C13 H26 N2 O4 CCCCCN1[C@....
15 2J4G Ki = 0.25 uM NB1 C10 H17 N O4 S CCCC1=N[C@....
16 5MI7 - OAN C15 H19 N3 O7 CC(=O)N[C@....
17 5MI5 - OAN C15 H19 N3 O7 CC(=O)N[C@....
18 2WZI - 5FN C8 H12 F N O5 CC1=N[C@@H....
19 2JIW - BEU C9 H16 N2 O4 CC(=O)N[C@....
20 2W67 Ki = 11 uM F34 C8 H16 N2 O4 CC(=O)N[C@....
21 5ABH Ki = 1.7 nM YWN C13 H26 N2 O4 CCCCCN1[C@....
22 2XM2 Ki = 24 uM LOG C8 H14 N2 O6 CC(=O)N[C@....
23 5MI6 - NHT C9 H16 N2 O4 S CCNC1=N[C@....
24 2J47 Ki = 3.9 uM GDV C17 H21 N4 O5 CC(=O)N[C@....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2XJ7 Kd = 246 nM GC2 C10 H18 N2 O4 CC(=O)N[C@....
2 2WZH - NGO C8 H14 N O5 CC1=[NH+][....
3 4AIU - GC3 C8 H13 N O6 C([C@@H]1[....
4 2VVS Ki = 46 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
5 2W66 Ki = 89 uM HQ6 C9 H18 N2 O5 CC(=O)N[C@....
6 2X0H - 14T C14 H15 F4 N O6 c1cc(c(cc1....
7 5ABG Ki = 9 nM V0N C17 H25 F N2 O4 CNC(=O)C[C....
8 4AIS - GOA C2 H4 O3 C(C(=O)O)O
9 2XM1 Kd = 8.5 uM LTM C8 H14 N2 O5 CC(=O)N[C@....
10 2W4X Kd = 14 uM STZ C8 H15 N3 O7 CN(C(=O)N[....
11 4UR9 Kd = 3.1 mM BK9 C10 H10 N2 O CCOc1c2ccc....
12 2WCA - NP6 C17 H23 N3 O7 CCCC(=O)N[....
13 2VVN - NHT C9 H16 N2 O4 S CCNC1=N[C@....
14 5ABE Ki = 890 uM XQO C13 H26 N2 O4 CCCCCN1[C@....
15 2J4G Ki = 0.25 uM NB1 C10 H17 N O4 S CCCC1=N[C@....
16 5MI7 - OAN C15 H19 N3 O7 CC(=O)N[C@....
17 5MI5 - OAN C15 H19 N3 O7 CC(=O)N[C@....
18 2WZI - 5FN C8 H12 F N O5 CC1=N[C@@H....
19 2JIW - BEU C9 H16 N2 O4 CC(=O)N[C@....
20 2W67 Ki = 11 uM F34 C8 H16 N2 O4 CC(=O)N[C@....
21 5ABH Ki = 1.7 nM YWN C13 H26 N2 O4 CCCCCN1[C@....
22 2XM2 Ki = 24 uM LOG C8 H14 N2 O6 CC(=O)N[C@....
23 5MI6 - NHT C9 H16 N2 O4 S CCNC1=N[C@....
24 2J47 Ki = 3.9 uM GDV C17 H21 N4 O5 CC(=O)N[C@....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2XJ7 Kd = 246 nM GC2 C10 H18 N2 O4 CC(=O)N[C@....
2 2WZH - NGO C8 H14 N O5 CC1=[NH+][....
3 4AIU - GC3 C8 H13 N O6 C([C@@H]1[....
4 2VVS Ki = 46 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
5 2W66 Ki = 89 uM HQ6 C9 H18 N2 O5 CC(=O)N[C@....
6 2X0H - 14T C14 H15 F4 N O6 c1cc(c(cc1....
7 5ABG Ki = 9 nM V0N C17 H25 F N2 O4 CNC(=O)C[C....
8 4AIS - GOA C2 H4 O3 C(C(=O)O)O
9 2XM1 Kd = 8.5 uM LTM C8 H14 N2 O5 CC(=O)N[C@....
10 2W4X Kd = 14 uM STZ C8 H15 N3 O7 CN(C(=O)N[....
11 4UR9 Kd = 3.1 mM BK9 C10 H10 N2 O CCOc1c2ccc....
12 2WCA - NP6 C17 H23 N3 O7 CCCC(=O)N[....
13 2VVN - NHT C9 H16 N2 O4 S CCNC1=N[C@....
14 5ABE Ki = 890 uM XQO C13 H26 N2 O4 CCCCCN1[C@....
15 2J4G Ki = 0.25 uM NB1 C10 H17 N O4 S CCCC1=N[C@....
16 5MI7 - OAN C15 H19 N3 O7 CC(=O)N[C@....
17 5MI5 - OAN C15 H19 N3 O7 CC(=O)N[C@....
18 2WZI - 5FN C8 H12 F N O5 CC1=N[C@@H....
19 2JIW - BEU C9 H16 N2 O4 CC(=O)N[C@....
20 2W67 Ki = 11 uM F34 C8 H16 N2 O4 CC(=O)N[C@....
21 5ABH Ki = 1.7 nM YWN C13 H26 N2 O4 CCCCCN1[C@....
22 2XM2 Ki = 24 uM LOG C8 H14 N2 O6 CC(=O)N[C@....
23 5MI6 - NHT C9 H16 N2 O4 S CCNC1=N[C@....
24 2J47 Ki = 3.9 uM GDV C17 H21 N4 O5 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OAN; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 OAN 1 1
2 OGN 1 1
3 8M7 0.76 0.951613
4 NP6 0.76 0.921875
5 VPU 0.730769 0.893939
6 GDL PHJ NAG 0.622222 0.967213
7 5G0 GAL 0.56044 0.838235
8 GYZ 0.5 0.864407
9 LOG 0.492754 0.833333
Ligand no: 2; Ligand: BK9; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BK9 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: OAN; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GDV 0.9250
2 V0N 0.9025
3 LEC 0.9022
4 FVQ 0.8584
5 IDE 0.8583
Ligand no: 2; Ligand: BK9; Similar ligands found: 1043
No: Ligand Similarity coefficient
1 M0W 0.9834
2 7VS 0.9832
3 8GK 0.9793
4 M0Q 0.9785
5 TSS 0.9776
6 SRO 0.9749
7 HLZ 0.9744
8 0LH 0.9742
9 6VD 0.9701
10 92P 0.9690
11 ICO 0.9667
12 M1H 0.9643
13 KYA 0.9639
14 5WY 0.9627
15 M1E 0.9624
16 7ZE 0.9620
17 PDC 0.9612
18 M4E 0.9608
19 NLA 0.9606
20 2ZQ 0.9586
21 5RN 0.9574
22 IAC 0.9560
23 4ME 0.9557
24 I3A 0.9548
25 DBJ 0.9545
26 OW7 0.9530
27 0W8 0.9519
28 LSA 0.9518
29 RD4 0.9517
30 NVU 0.9506
31 O2A 0.9503
32 Q6T 0.9501
33 5OB 0.9499
34 4KL 0.9496
35 DNF 0.9494
36 BGC 0.9489
37 MQB 0.9482
38 PD2 0.9481
39 15N 0.9480
40 UAN 0.9476
41 AIN 0.9468
42 0FK 0.9466
43 DNC 0.9463
44 4TU 0.9460
45 0JD 0.9457
46 LGC 0.9456
47 1F1 0.9456
48 5WX 0.9455
49 N2I 0.9453
50 0HO 0.9443
51 42C 0.9442
52 M2K 0.9442
53 KBG 0.9440
54 FXH 0.9437
55 5RO 0.9434
56 Z5P 0.9429
57 GAL 0.9426
58 INE 0.9425
59 C2Y 0.9424
60 3A9 0.9424
61 091 0.9423
62 28S 0.9420
63 3R6 0.9420
64 GLC 0.9417
65 2LY 0.9415
66 2EC 0.9414
67 5NS 0.9414
68 8ZE 0.9413
69 BZ3 0.9412
70 7HQ 0.9407
71 5OF 0.9405
72 RM1 0.9401
73 5WU 0.9400
74 2MN 0.9398
75 PEY 0.9397
76 8XQ 0.9396
77 MR1 0.9394
78 HQD 0.9393
79 2ZM 0.9393
80 4HC 0.9392
81 TSR 0.9387
82 TTY 0.9387
83 JAW 0.9387
84 GCS 0.9385
85 67Y 0.9382
86 9FL 0.9382
87 NID 0.9380
88 QMS 0.9378
89 OIA 0.9374
90 4AV 0.9372
91 0F9 0.9371
92 6NT 0.9366
93 3MB 0.9365
94 YSO 0.9365
95 CKU 0.9358
96 AKH 0.9350
97 MS9 0.9348
98 CKA 0.9348
99 URC 0.9347
100 30G 0.9343
101 DIE 0.9342
102 7MX 0.9340
103 LZM 0.9340
104 JB8 0.9340
105 ODO 0.9334
106 QPR 0.9330
107 SXS 0.9329
108 M6Z 0.9326
109 MEW 0.9326
110 5XC 0.9326
111 EA1 0.9326
112 M3Q 0.9324
113 GCU 0.9322
114 42A 0.9320
115 KJU 0.9319
116 J9Q 0.9318
117 APS 0.9317
118 J9W 0.9316
119 XEN 0.9315
120 GCB 0.9314
121 HA5 0.9313
122 XQG 0.9312
123 M5K 0.9312
124 G3F 0.9311
125 AQO 0.9311
126 KIB 0.9311
127 ARP 0.9307
128 9MG 0.9307
129 HLD 0.9307
130 BDP 0.9307
131 M1Q 0.9306
132 ABI 0.9306
133 PE0 0.9305
134 M5N 0.9305
135 AJ2 0.9304
136 IOS 0.9301
137 BZJ 0.9300
138 7NI 0.9299
139 PRF 0.9298
140 HA7 0.9296
141 EVA 0.9296
142 MHK 0.9295
143 3NY 0.9295
144 5NI 0.9294
145 0HN 0.9293
146 C9E 0.9291
147 R9Y 0.9291
148 SHA 0.9287
149 Q24 0.9285
150 FLV 0.9280
151 VK3 0.9280
152 OVM 0.9279
153 790 0.9277
154 2O6 0.9277
155 7CT 0.9277
156 6DP 0.9274
157 9R5 0.9274
158 1QP 0.9272
159 V55 0.9271
160 2SX 0.9270
161 8G0 0.9269
162 97T 0.9269
163 9FE 0.9268
164 AZ8 0.9265
165 OA3 0.9264
166 DRL 0.9263
167 CWJ 0.9263
168 MIG 0.9260
169 9ZE 0.9260
170 LZ2 0.9259
171 JDN 0.9258
172 E7Z 0.9257
173 55D 0.9255
174 8S0 0.9253
175 NTM 0.9253
176 1X7 0.9252
177 0GZ 0.9252
178 57O 0.9251
179 DQU 0.9251
180 NBG 0.9250
181 9BF 0.9250
182 W81 0.9246
183 3DM 0.9242
184 HNQ 0.9241
185 IOP 0.9238
186 DNA 0.9236
187 EUG 0.9235
188 8TX 0.9234
189 OW4 0.9232
190 67X 0.9231
191 QM1 0.9231
192 MWP 0.9227
193 8HC 0.9226
194 8XL 0.9223
195 TTL 0.9223
196 9DG 0.9221
197 VNL 0.9218
198 B62 0.9218
199 EV3 0.9217
200 7B3 0.9216
201 OVP 0.9213
202 54G 0.9212
203 LDR 0.9212
204 MNP 0.9212
205 3Z8 0.9212
206 PRZ 0.9211
207 ALL 0.9211
208 23J 0.9211
209 ONR 0.9210
210 MUA 0.9208
211 5RG 0.9207
212 ZON 0.9205
213 1P8 0.9201
214 H7Y 0.9200
215 OMD 0.9199
216 4HM 0.9199
217 N8Y 0.9198
218 FOT 0.9196
219 XAN 0.9196
220 KDV 0.9191
221 8W9 0.9191
222 NTZ 0.9191
223 7FF 0.9190
224 I6G 0.9190
225 4MU 0.9189
226 6CS 0.9188
227 2BG 0.9188
228 C2U 0.9187
229 GTQ 0.9187
230 E1T 0.9186
231 6NI 0.9186
232 K3Q 0.9184
233 5NE 0.9184
234 PHT 0.9184
235 JYT 0.9182
236 9KH 0.9182
237 2KA 0.9179
238 GT0 0.9178
239 94W 0.9177
240 61M 0.9176
241 QBK 0.9176
242 GUN 0.9175
243 9PY 0.9175
244 6ME 0.9174
245 MO8 0.9174
246 PQ0 0.9172
247 1AL 0.9171
248 OCH 0.9171
249 FE DB1 0.9169
250 F31 0.9167
251 0P6 0.9166
252 ZYR 0.9166
253 H42 0.9166
254 2HU 0.9165
255 5GU 0.9164
256 PFB 0.9163
257 JXK 0.9162
258 NGO 0.9162
259 PH2 0.9162
260 DHQ 0.9162
261 6R8 0.9162
262 FDR 0.9162
263 OTD 0.9161
264 5M0 0.9160
265 6LW 0.9160
266 5MK 0.9159
267 5QY 0.9159
268 1LQ 0.9158
269 COU 0.9158
270 VYM 0.9157
271 Q88 0.9157
272 XHP 0.9155
273 PJW 0.9155
274 IJZ 0.9154
275 0FO 0.9153
276 EOL 0.9152
277 LDP 0.9152
278 DIU 0.9151
279 44W 0.9151
280 TT4 0.9151
281 2AQ 0.9151
282 GJP 0.9150
283 F12 0.9149
284 28N 0.9148
285 HHR 0.9148
286 NOJ 0.9147
287 SLS 0.9146
288 CLZ 0.9145
289 4FS 0.9145
290 NQ 0.9145
291 NFM 0.9144
292 D07 0.9141
293 7I2 0.9141
294 BCU 0.9141
295 9AP 0.9141
296 8WT 0.9139
297 KP6 0.9139
298 7WR 0.9139
299 9LI 0.9136
300 2FY 0.9134
301 YH7 0.9134
302 27B 0.9134
303 AZA 0.9133
304 FP1 0.9133
305 3PF 0.9128
306 9F8 0.9126
307 TQU 0.9126
308 ES5 0.9126
309 6M4 0.9125
310 HPT 0.9123
311 GSY 0.9123
312 RXA 0.9123
313 7B4 0.9122
314 9CA 0.9121
315 DBX 0.9118
316 JKZ 0.9117
317 329 0.9116
318 4JT 0.9116
319 GTR 0.9116
320 NDH 0.9115
321 B57 0.9115
322 XIY 0.9114
323 5QX 0.9114
324 CWS 0.9113
325 6KT 0.9112
326 9UG 0.9110
327 VXX 0.9110
328 GDE 0.9109
329 XAZ 0.9108
330 V1T 0.9108
331 SR4 0.9107
332 JR2 0.9106
333 261 0.9106
334 B60 0.9104
335 IBM 0.9102
336 3C1 0.9102
337 M5H 0.9100
338 1P7 0.9099
339 5JQ 0.9098
340 5VL 0.9098
341 NBV 0.9097
342 03V 0.9097
343 8NX 0.9097
344 IV2 0.9096
345 ADE 0.9092
346 IGA 0.9092
347 JTH 0.9092
348 BMA 0.9092
349 FA0 0.9091
350 UNC 0.9090
351 3WA 0.9089
352 HH8 0.9087
353 75K 0.9087
354 9TZ 0.9087
355 2AL 0.9087
356 M6N 0.9086
357 4XH 0.9086
358 BOA 0.9085
359 32X 0.9085
360 LYL 0.9085
361 BEA 0.9085
362 BTY 0.9083
363 GOX 0.9082
364 MVN 0.9082
365 226 0.9081
366 CTS 0.9081
367 P9P 0.9081
368 DHK 0.9081
369 SHG 0.9080
370 G3E 0.9080
371 NGT 0.9079
372 NGW 0.9079
373 PXL 0.9077
374 6BL 0.9077
375 0N7 0.9076
376 X09 0.9074
377 TVP 0.9073
378 1IT 0.9073
379 KUF 0.9072
380 4JQ 0.9072
381 QX4 0.9070
382 MAN 0.9070
383 1XM 0.9068
384 4Z4 0.9068
385 DOB 0.9068
386 B55 0.9066
387 24W 0.9066
388 OXC 0.9066
389 G5V 0.9066
390 4YO 0.9066
391 NPA 0.9065
392 F0J 0.9065
393 DRG 0.9065
394 NIZ 0.9065
395 7HP 0.9065
396 SYE 0.9064
397 12B 0.9064
398 6AP 0.9061
399 7ZC 0.9059
400 TXW 0.9058
401 KED 0.9058
402 LCN 0.9056
403 44V 0.9055
404 93K 0.9053
405 149 0.9052
406 ZZ8 0.9051
407 54X 0.9050
408 X8D 0.9049
409 H5B 0.9049
410 THA 0.9049
411 F9Y 0.9048
412 3M0 0.9048
413 5VJ 0.9048
414 5CU 0.9047
415 AEH 0.9045
416 2K8 0.9045
417 CH9 0.9045
418 F05 0.9044
419 3HA 0.9044
420 A2F 0.9043
421 52C 0.9043
422 WOO 0.9042
423 2HQ 0.9041
424 8CM 0.9041
425 SBK 0.9040
426 UFO 0.9039
427 4M4 0.9038
428 141 0.9038
429 AZ9 0.9037
430 209 0.9037
431 2JK 0.9037
432 DHY 0.9037
433 15E 0.9037
434 4AA 0.9037
435 A7H 0.9036
436 BTE 0.9036
437 SOR 0.9035
438 1M2 0.9035
439 DHB 0.9034
440 4M0 0.9033
441 1NP 0.9032
442 3RI 0.9031
443 N5J 0.9030
444 D48 0.9030
445 1SQ 0.9029
446 ORO 0.9029
447 GLA 0.9027
448 BZX 0.9027
449 HHS 0.9027
450 PFL 0.9026
451 A7W 0.9024
452 3F0 0.9024
453 4RU 0.9021
454 CX4 0.9019
455 LT2 0.9019
456 DBH 0.9019
457 HQY 0.9018
458 6HP 0.9017
459 DX3 0.9017
460 3DO 0.9016
461 OVV 0.9016
462 4CS 0.9014
463 DFB 0.9014
464 KTW 0.9014
465 3MG 0.9012
466 DA4 0.9012
467 CFA 0.9012
468 C0W 0.9011
469 TRP 0.9011
470 GV9 0.9011
471 8WO 0.9009
472 GC2 0.9008
473 12Q 0.9008
474 CKX 0.9007
475 MAQ 0.9007
476 XFE 0.9006
477 1LM 0.9006
478 5IQ 0.9006
479 ES1 0.9006
480 FBG 0.9005
481 HPA 0.9005
482 3IT 0.9005
483 KJY 0.9005
484 KIA 0.9004
485 BHA 0.9004
486 ALN 0.9003
487 3HB 0.9003
488 OTW 0.9002
489 KLW 0.9002
490 LKA 0.8997
491 NDM 0.8997
492 XQK 0.8996
493 2D3 0.8996
494 QSH 0.8994
495 IFM 0.8994
496 AH8 0.8991
497 4XV 0.8990
498 BPU 0.8990
499 B41 0.8989
500 SAL 0.8989
501 4Z9 0.8988
502 PYQ 0.8988
503 5SG 0.8987
504 I59 0.8987
505 1A7 0.8987
506 39U 0.8987
507 FYU 0.8987
508 PXM 0.8987
509 9TW 0.8985
510 TNX 0.8983
511 AZG 0.8983
512 2H5 0.8983
513 AA 0.8982
514 DEE 0.8981
515 0CU 0.8981
516 BQ2 0.8980
517 3U4 0.8980
518 3BZ 0.8979
519 BE2 0.8979
520 JBH 0.8978
521 5B1 0.8978
522 N7I 0.8977
523 JPZ 0.8977
524 UEG 0.8977
525 MB1 0.8976
526 CHB 0.8976
527 AJV 0.8975
528 5NU 0.8975
529 II6 0.8974
530 5Q0 0.8974
531 86J 0.8973
532 4VY 0.8972
533 2J9 0.8972
534 HQT 0.8972
535 ZME 0.8971
536 948 0.8971
537 AMR 0.8970
538 INO 0.8970
539 5JL 0.8969
540 SKF 0.8969
541 GNL 0.8968
542 KLK 0.8966
543 HHT 0.8966
544 2AK 0.8965
545 FDB 0.8964
546 2LP 0.8963
547 MD6 0.8962
548 VM1 0.8962
549 GAB 0.8962
550 ES2 0.8962
551 4A5 0.8962
552 3CU 0.8961
553 SX1 0.8961
554 5PX 0.8961
555 96R 0.8961
556 1KP 0.8961
557 ISZ 0.8961
558 ANF 0.8961
559 6GU 0.8960
560 MAJ 0.8960
561 3NT 0.8959
562 0XT 0.8959
563 1LN 0.8958
564 4YS 0.8957
565 8IG 0.8957
566 25W 0.8957
567 G6D 0.8956
568 60Q 0.8954
569 CTL 0.8953
570 CR1 0.8952
571 2FG 0.8952
572 0TU 0.8952
573 AC2 0.8951
574 4OG 0.8951
575 MBG 0.8951
576 JP2 0.8949
577 VNJ 0.8949
578 YTX 0.8948
579 CSN 0.8947
580 BB4 0.8947
581 O72 0.8947
582 NCD 0.8947
583 64C 0.8947
584 PA1 0.8947
585 173 0.8947
586 KT7 0.8945
587 GOG 0.8945
588 SE2 0.8944
589 HQ9 0.8944
590 I2E 0.8942
591 SKM 0.8941
592 AS3 0.8940
593 Q7A 0.8940
594 J5I 0.8940
595 GO2 0.8939
596 327 0.8938
597 O2Y 0.8938
598 NSG 0.8937
599 MT0 0.8937
600 20J 0.8937
601 5V7 0.8936
602 H33 0.8936
603 HMU 0.8935
604 DMD 0.8934
605 OKM 0.8933
606 E7R 0.8933
607 5WN 0.8932
608 CIY 0.8932
609 HQJ 0.8932
610 ASC 0.8932
611 LTN 0.8931
612 FWB 0.8931
613 HJP 0.8930
614 ASO 0.8929
615 5F5 0.8929
616 7M6 0.8928
617 QUB 0.8927
618 SWA 0.8927
619 495 0.8926
620 HBO 0.8926
621 ISN 0.8926
622 BCP 0.8925
623 8GC 0.8925
624 1U6 0.8925
625 1HN 0.8925
626 EV0 0.8924
627 DPZ 0.8922
628 3AB 0.8922
629 L21 0.8921
630 MYJ 0.8921
631 68A 0.8921
632 92K 0.8920
633 94B 0.8920
634 7W4 0.8918
635 DIN 0.8917
636 ZB1 0.8916
637 53C 0.8916
638 IQ5 0.8915
639 2FQ 0.8915
640 5WV 0.8915
641 GLT 0.8913
642 3IL 0.8912
643 DX4 0.8912
644 J6W 0.8911
645 AJY 0.8911
646 EMZ 0.8910
647 MRW 0.8910
648 2GQ 0.8910
649 KKN 0.8910
650 MFZ 0.8909
651 F52 0.8909
652 N1E 0.8907
653 MQN 0.8907
654 GM7 0.8907
655 4I8 0.8905
656 ES6 0.8905
657 3ID 0.8904
658 FUD 0.8903
659 4VS 0.8903
660 JKE 0.8902
661 TOF 0.8901
662 APZ 0.8900
663 CBF 0.8900
664 B53 0.8900
665 4XS 0.8899
666 4NC 0.8898
667 EXR 0.8897
668 YO5 0.8896
669 EYK 0.8896
670 1GN 0.8896
671 CFP 0.8896
672 8RK 0.8895
673 NAG 0.8895
674 FIX 0.8893
675 R8V 0.8891
676 AX3 0.8891
677 BRT 0.8891
678 R9S 0.8891
679 3Z7 0.8891
680 9UL 0.8890
681 CWM 0.8890
682 TEP 0.8890
683 9KT 0.8890
684 ES9 0.8889
685 ONZ 0.8889
686 DOR 0.8888
687 HHA 0.8888
688 AW5 0.8887
689 290 0.8887
690 7MU 0.8887
691 A29 0.8886
692 HKD 0.8886
693 3C2 0.8885
694 K2P 0.8885
695 GYE 0.8884
696 4ZC 0.8883
697 GIV 0.8881
698 BHO 0.8881
699 JXW 0.8880
700 M78 0.8879
701 12M 0.8877
702 49O 0.8877
703 AFR 0.8877
704 8WZ 0.8876
705 CFF 0.8875
706 680 0.8874
707 MYI 0.8872
708 LNR 0.8872
709 VGD 0.8872
710 F5C 0.8871
711 GIO 0.8871
712 HZQ 0.8870
713 JF1 0.8869
714 AMG 0.8869
715 ZZT 0.8868
716 2HO 0.8867
717 15A 0.8866
718 GLO 0.8866
719 36R 0.8866
720 DTR 0.8865
721 CLW 0.8865
722 KG1 0.8864
723 D1X 0.8863
724 JF2 0.8861
725 G2F 0.8861
726 PRY 0.8860
727 692 0.8860
728 HH5 0.8860
729 GCO 0.8859
730 PX7 0.8859
731 512 0.8858
732 IPB 0.8858
733 BSX 0.8857
734 SVN 0.8857
735 67N 0.8857
736 IFL 0.8856
737 GZL 0.8855
738 NOY 0.8853
739 MXN 0.8853
740 YQA 0.8853
741 1XN 0.8851
742 P7Y 0.8851
743 6M9 0.8848
744 M3S 0.8848
745 1X8 0.8847
746 JFJ 0.8847
747 F69 0.8847
748 ES7 0.8847
749 CFI 0.8847
750 GZ8 0.8847
751 AHR 0.8846
752 X05 0.8845
753 XQ0 0.8845
754 A13 0.8845
755 4XY 0.8843
756 JZ4 0.8843
757 E7S 0.8843
758 EYA 0.8842
759 S3B 0.8842
760 FRU 0.8842
761 0RW 0.8841
762 QSB 0.8841
763 SWD 0.8840
764 Q71 0.8840
765 2A9 0.8840
766 NDG 0.8840
767 E1P 0.8840
768 NNO 0.8840
769 8VN 0.8839
770 6J9 0.8838
771 LZB 0.8838
772 34D 0.8838
773 42J 0.8837
774 15L 0.8836
775 CIT 0.8836
776 2CZ 0.8835
777 GLF 0.8835
778 DEW 0.8833
779 VOH 0.8833
780 2F6 0.8831
781 GOJ 0.8831
782 JHY 0.8830
783 EWG 0.8830
784 ES0 0.8829
785 2D0 0.8829
786 ROI 0.8829
787 LI6 0.8828
788 GTL 0.8827
789 64E 0.8827
790 G4D 0.8827
791 GAF 0.8827
792 BY5 0.8826
793 LFR 0.8826
794 XDE 0.8825
795 ALE 0.8825
796 FGZ 0.8825
797 FK1 0.8822
798 06B 0.8822
799 LEL 0.8821
800 N2Z 0.8821
801 AY4 0.8820
802 MT8 0.8819
803 51R 0.8819
804 FHB 0.8819
805 TH7 0.8819
806 L99 0.8818
807 MS0 0.8818
808 GJS 0.8818
809 XH2 0.8817
810 L5V 0.8817
811 R8S 0.8815
812 61O 0.8814
813 6XI 0.8814
814 B56 0.8810
815 JU2 0.8810
816 WCE 0.8808
817 IHB 0.8806
818 FLC 0.8806
819 DK1 0.8804
820 H4N 0.8804
821 HJ7 0.8803
822 F95 0.8803
823 7VJ 0.8803
824 EYM 0.8801
825 YIO 0.8801
826 EJZ 0.8801
827 UFV 0.8800
828 11S 0.8798
829 RVE 0.8797
830 82I 0.8797
831 QAS 0.8797
832 IPT 0.8796
833 GTZ 0.8796
834 K17 0.8796
835 23A 0.8795
836 ZZZ 0.8792
837 45L 0.8792
838 463 0.8791
839 L07 0.8790
840 GXY 0.8789
841 6MP 0.8788
842 TWO 0.8786
843 ZWZ 0.8785
844 9HX 0.8785
845 LL1 0.8784
846 5MI 0.8783
847 6AI 0.8782
848 T6Z 0.8781
849 4A3 0.8781
850 5HN 0.8781
851 GCW 0.8779
852 K82 0.8778
853 SOE 0.8777
854 KW8 0.8776
855 3BU 0.8776
856 B5D 0.8775
857 363 0.8775
858 5MB 0.8775
859 TFU 0.8774
860 HMH 0.8774
861 36M 0.8773
862 069 0.8772
863 ZIP 0.8772
864 9DA 0.8768
865 ADZ 0.8766
866 PM6 0.8764
867 1SS 0.8764
868 BP1 0.8763
869 JUG 0.8763
870 ENL 0.8763
871 2HC 0.8761
872 293 0.8761
873 X6X 0.8761
874 ES4 0.8760
875 3HM 0.8760
876 GIM 0.8759
877 9EW 0.8758
878 1DW 0.8755
879 MZM 0.8755
880 PLP 0.8753
881 G1O 0.8753
882 G6P 0.8752
883 EV2 0.8752
884 JBQ 0.8751
885 2KU 0.8749
886 SYV 0.8749
887 5GT 0.8747
888 78U 0.8746
889 8NY 0.8746
890 ICT 0.8745
891 G1P 0.8744
892 QUS 0.8743
893 S24 0.8743
894 X0W 0.8742
895 39A 0.8741
896 4SV 0.8737
897 10L 0.8736
898 EYV 0.8734
899 GXL 0.8733
900 2UD 0.8730
901 3C4 0.8729
902 XX3 0.8728
903 96Z 0.8728
904 22L 0.8725
905 FH2 0.8724
906 GDL 0.8724
907 ZVO 0.8723
908 7WA 0.8722
909 EGR 0.8722
910 DIG 0.8721
911 3N4 0.8720
912 SR1 0.8719
913 B2J 0.8717
914 9RW 0.8715
915 V6F 0.8714
916 505 0.8714
917 EQT 0.8714
918 1P3 0.8713
919 R8Y 0.8711
920 KF5 0.8707
921 AEZ 0.8707
922 1SV 0.8707
923 JBE 0.8707
924 GO8 0.8706
925 IPD 0.8705
926 H4E 0.8703
927 S76 0.8701
928 KJH 0.8699
929 3QV 0.8699
930 U7E 0.8696
931 3TJ 0.8695
932 3C7 0.8693
933 LP8 0.8693
934 HTP 0.8687
935 XX2 0.8686
936 K37 0.8684
937 K68 0.8681
938 8VE 0.8679
939 3AL 0.8679
940 S8D 0.8676
941 DHC 0.8676
942 5OO 0.8675
943 FDK 0.8674
944 HLR 0.8674
945 AOR 0.8673
946 96U 0.8672
947 M9N 0.8671
948 J01 0.8670
949 SF9 0.8670
950 J9T 0.8669
951 CN0 0.8669
952 GOE 0.8669
953 E35 0.8666
954 RPQ 0.8664
955 YZM 0.8663
956 2CG 0.8662
957 PSJ 0.8660
958 DGJ 0.8659
959 TRC 0.8658
960 0GY 0.8656
961 LT8 0.8655
962 LIP 0.8655
963 ST2 0.8652
964 3R9 0.8652
965 B0K 0.8652
966 SYR 0.8651
967 AM1 0.8650
968 S7G 0.8648
969 KWH 0.8647
970 REL 0.8644
971 BA5 0.8643
972 F06 0.8642
973 OTR 0.8640
974 W8G 0.8638
975 KDG 0.8637
976 OSB 0.8637
977 5WT 0.8637
978 CE2 0.8635
979 CPW 0.8635
980 3MA 0.8635
981 MAG 0.8633
982 LPK 0.8633
983 8U3 0.8632
984 PMP 0.8631
985 RZH 0.8631
986 FF2 0.8631
987 YKG 0.8629
988 LFQ 0.8628
989 I4D 0.8628
990 772 0.8627
991 NQH 0.8622
992 XM5 0.8620
993 3VW 0.8620
994 NGA 0.8619
995 FER 0.8619
996 C09 0.8618
997 6HO 0.8618
998 657 0.8617
999 PVQ 0.8615
1000 SYA 0.8612
1001 P9T 0.8611
1002 B4O 0.8610
1003 P84 0.8607
1004 L46 0.8607
1005 PVK 0.8606
1006 OUB 0.8606
1007 ADK 0.8605
1008 774 0.8604
1009 NPL 0.8602
1010 5F8 0.8601
1011 X04 0.8599
1012 DI6 0.8597
1013 XG1 0.8596
1014 S3C 0.8592
1015 1FE 0.8590
1016 D80 0.8588
1017 RNS 0.8588
1018 TWB 0.8587
1019 CGW 0.8584
1020 CUT 0.8584
1021 2GS 0.8573
1022 EDR 0.8571
1023 L8J 0.8567
1024 RB5 0.8566
1025 D3G 0.8561
1026 AP4 0.8560
1027 GI3 0.8560
1028 S3P 0.8559
1029 TCR 0.8556
1030 IFG 0.8555
1031 GJK 0.8553
1032 CCV 0.8550
1033 9X5 0.8546
1034 ETV 0.8545
1035 MNN 0.8543
1036 YPN 0.8543
1037 L98 0.8540
1038 KTA 0.8536
1039 JXT 0.8530
1040 795 0.8524
1041 AHN 0.8520
1042 HBI 0.8513
1043 3Y7 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ABH; Ligand: YWN; 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: 5abh.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ABH; Ligand: YWN; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 5abh.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5M7S NHT 20.7989
2 5M7S NHT 20.7989
3 5UN9 NHT 29.9603
4 5UN9 NHT 29.9603
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