Receptor
PDB id Resolution Class Description Source Keywords
1WB6 1.4 Å EC: 3.2.1.8 S954A MUTANT OF THE FERULOYL ESTERASE MODULE FROM CLOSTRIDIUM THERMOCELLUM COMPLEXED WITH VANILLATE CLOSTRIDIUM THERMOCELLUM ESTERASE FAMILY 1 FERULIC ACID GLYCOSIDASE HYDROLASE XYLDEGRADATION
Ref.: MOLECULAR DETERMINANTS OF SUBSTRATE SPECIFICITY IN FERULOYL ESTERASE MODULE OF XYLANASE 10B FROM CLOST THERMOCELLUM ACTA CRYSTALLOGR.,SECT.D V. 61 194 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:2090;
B:2091;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CD A:2091;
A:2092;
A:2093;
A:2094;
A:2095;
A:2096;
A:2097;
A:2098;
A:2099;
A:2100;
B:2092;
B:2093;
B:2094;
B:2095;
B:2096;
B:2097;
B:2098;
B:2099;
B:2100;
B:2101;
 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;
 submit data
112.411 Cd [Cd+2...
GOL A:2087;
A:2088;
A:2089;
B:2087;
B:2088;
B:2089;
B:2090;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
VXX A:2086;
B:2086;
 Valid;
Valid;
 none;
none;
 submit data
182.173 C9 H10 O4 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WB4 1.4 Å EC: 3.2.1.8 S954A MUTANT OF THE FERULOYL ESTERASE MODULE FROM CLOSTRIDIUM THERMOCELLUM COMPLEXED WITH SINAPINATE CLOSTRIDIUM THERMOCELLUM ESTERASE FAMILY 1 FERULIC ACID GLYCOSIDASE HYDROLASE REPEAT XYLAN DEGRADATION XYLANASE
Ref.: MOLECULAR DETERMINANTS OF SUBSTRATE SPECIFICITY IN THE FERULOYL ESTERASE MODULE OF XYLANASE 10B FROM CLOSTRIDIUM THERMOCELLUM ACTA CRYSTALLOGR.,SECT.D V. 61 194 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1GKL - FER C10 H10 O4 COc1cc(ccc....
2 1WB5 - SYR C10 H12 O5 COc1cc(cc(....
3 1WB6 - VXX C9 H10 O4 COc1cc(ccc....
4 1WB4 - SXX C11 H12 O5 COc1cc(cc(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 1GKL - FER C10 H10 O4 COc1cc(ccc....
2 1WB5 - SYR C10 H12 O5 COc1cc(cc(....
3 1WB6 - VXX C9 H10 O4 COc1cc(ccc....
4 1WB4 - SXX C11 H12 O5 COc1cc(cc(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1GKL - FER C10 H10 O4 COc1cc(ccc....
2 1WB5 - SYR C10 H12 O5 COc1cc(cc(....
3 1WB6 - VXX C9 H10 O4 COc1cc(ccc....
4 1WB4 - SXX C11 H12 O5 COc1cc(cc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VXX; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 VXX 1 1
2 VNL 0.595238 0.88
3 SYR 0.47619 0.96
4 F0J 0.418605 0.84
5 GJK 0.411765 0.84
6 YTX 0.4 0.785714
7 4HM 0.4 0.689655
Similar Ligands (3D)
Ligand no: 1; Ligand: VXX; Similar ligands found: 1258
No: Ligand Similarity coefficient
1 EOL 0.9733
2 L99 0.9704
3 LNR 0.9667
4 KTW 0.9620
5 DNF 0.9615
6 AEH 0.9603
7 DHB 0.9594
8 H7Y 0.9572
9 F31 0.9572
10 ESI 0.9570
11 7MU 0.9558
12 N8Y 0.9557
13 KUF 0.9556
14 GZL 0.9554
15 8HC 0.9536
16 TWO 0.9533
17 PRZ 0.9531
18 0FK 0.9527
19 7WR 0.9527
20 4A3 0.9524
21 IHB 0.9523
22 463 0.9513
23 92P 0.9497
24 93K 0.9495
25 4ME 0.9493
26 CHB 0.9492
27 9TW 0.9488
28 2HO 0.9487
29 FHB 0.9487
30 FF2 0.9484
31 NNO 0.9481
32 AY4 0.9480
33 H4E 0.9480
34 JLZ 0.9478
35 3HM 0.9477
36 MYJ 0.9472
37 069 0.9472
38 N7I 0.9472
39 NGT 0.9470
40 NGW 0.9470
41 QSB 0.9469
42 CWS 0.9468
43 C2Y 0.9459
44 4NC 0.9459
45 XX2 0.9459
46 ONR 0.9459
47 INO 0.9457
48 8WT 0.9456
49 2LY 0.9456
50 EUG 0.9455
51 CIY 0.9454
52 P9P 0.9453
53 9FE 0.9452
54 V55 0.9450
55 J9T 0.9448
56 0F9 0.9444
57 HA5 0.9442
58 LDP 0.9435
59 AJY 0.9425
60 ZYR 0.9422
61 C9E 0.9418
62 1A7 0.9414
63 42J 0.9411
64 HQJ 0.9395
65 M6Z 0.9389
66 NGO 0.9389
67 ZME 0.9385
68 8WO 0.9384
69 M4E 0.9379
70 0W1 0.9376
71 MVN 0.9371
72 F12 0.9371
73 8NX 0.9370
74 DQU 0.9364
75 ASC 0.9363
76 R20 0.9361
77 2HQ 0.9359
78 ALE 0.9356
79 XDE 0.9356
80 DNC 0.9354
81 5RO 0.9354
82 4M4 0.9352
83 CXH 0.9346
84 OTW 0.9343
85 SKM 0.9341
86 M1Z 0.9340
87 GDE 0.9339
88 L5V 0.9339
89 R9Y 0.9336
90 PH2 0.9333
91 3C4 0.9331
92 45L 0.9329
93 QX4 0.9326
94 8CM 0.9326
95 DIN 0.9325
96 X0W 0.9324
97 BEA 0.9323
98 0P6 0.9322
99 BPY 0.9320
100 3MB 0.9318
101 6TZ 0.9315
102 4AV 0.9314
103 A29 0.9313
104 OVM 0.9310
105 0HN 0.9307
106 MRW 0.9307
107 6RQ 0.9304
108 1F1 0.9303
109 HHR 0.9300
110 0HO 0.9298
111 GV9 0.9297
112 0FO 0.9297
113 ZXD 0.9296
114 BZE 0.9294
115 DHK 0.9292
116 3R6 0.9290
117 7MX 0.9289
118 2FQ 0.9287
119 EGR 0.9285
120 PDC 0.9284
121 GO8 0.9282
122 XHP 0.9282
123 EXD 0.9280
124 OW4 0.9278
125 VOH 0.9278
126 7I2 0.9273
127 HHS 0.9269
128 QSH 0.9268
129 FDR 0.9267
130 344 0.9267
131 A7W 0.9267
132 4V2 0.9266
133 86J 0.9265
134 BQ2 0.9262
135 6QF 0.9260
136 GF4 0.9258
137 X0V 0.9257
138 E7S 0.9257
139 OMD 0.9257
140 R1P 0.9256
141 JG8 0.9255
142 44W 0.9253
143 JFJ 0.9253
144 E35 0.9252
145 FGZ 0.9251
146 IV2 0.9250
147 B62 0.9249
148 9R5 0.9249
149 6NT 0.9247
150 SG2 0.9245
151 6ME 0.9245
152 DHY 0.9244
153 1QP 0.9243
154 9ZE 0.9242
155 F2W 0.9242
156 4A5 0.9242
157 E1T 0.9240
158 JND 0.9240
159 4SX 0.9240
160 JR2 0.9239
161 1KP 0.9239
162 44V 0.9237
163 BPU 0.9235
164 SRO 0.9233
165 N1E 0.9232
166 2O6 0.9231
167 O2A 0.9231
168 ANC 0.9229
169 BDP 0.9228
170 60L 0.9224
171 SAF 0.9222
172 692 0.9221
173 3VX 0.9219
174 XQI 0.9218
175 2AL 0.9216
176 39O 0.9215
177 AJV 0.9215
178 NDG 0.9213
179 3NY 0.9211
180 N0Z 0.9209
181 EKZ 0.9209
182 MPV 0.9209
183 XDK 0.9209
184 5NI 0.9209
185 ABI 0.9208
186 3A9 0.9208
187 15N 0.9205
188 AX3 0.9205
189 2ZM 0.9204
190 0JD 0.9204
191 3PF 0.9204
192 M2K 0.9203
193 4FH 0.9202
194 3Z8 0.9199
195 1P7 0.9197
196 SOR 0.9197
197 KOJ 0.9197
198 4CS 0.9195
199 2D0 0.9194
200 7ME 0.9193
201 CH9 0.9190
202 GZ2 0.9188
203 8NB 0.9188
204 8W9 0.9188
205 N91 0.9187
206 VM1 0.9185
207 UFO 0.9184
208 L22 0.9183
209 2HU 0.9182
210 4AA 0.9182
211 AH8 0.9182
212 2V0 0.9182
213 IFP 0.9181
214 HQT 0.9181
215 NBG 0.9179
216 4KL 0.9177
217 5F5 0.9172
218 6R8 0.9171
219 MB1 0.9170
220 XAZ 0.9168
221 15E 0.9168
222 BZJ 0.9168
223 4MU 0.9168
224 5RN 0.9167
225 CKU 0.9167
226 LEL 0.9166
227 HBO 0.9165
228 CWM 0.9164
229 ICO 0.9164
230 JAW 0.9163
231 K3Q 0.9162
232 HQD 0.9161
233 N3W 0.9161
234 CCV 0.9160
235 BZ2 0.9158
236 JDN 0.9156
237 28N 0.9156
238 RD4 0.9156
239 9FL 0.9153
240 OW7 0.9152
241 1IT 0.9152
242 XX3 0.9152
243 B4O 0.9151
244 3HB 0.9151
245 5QY 0.9151
246 5XC 0.9150
247 JB8 0.9148
248 APZ 0.9147
249 UAN 0.9145
250 Q88 0.9144
251 E7Z 0.9144
252 263 0.9143
253 0N7 0.9143
254 GAB 0.9142
255 6Q3 0.9141
256 GHM 0.9141
257 AZ9 0.9139
258 NAG 0.9139
259 4XV 0.9138
260 CWJ 0.9137
261 WCE 0.9137
262 9CA 0.9136
263 AMR 0.9135
264 209 0.9134
265 8XL 0.9133
266 6NI 0.9133
267 ICB 0.9132
268 8ZE 0.9132
269 F4E 0.9130
270 SYA 0.9129
271 M5H 0.9128
272 M3E 0.9128
273 3Y7 0.9127
274 HX3 0.9127
275 MOK 0.9126
276 EMZ 0.9125
277 2D3 0.9122
278 TSS 0.9122
279 V1T 0.9121
280 DHS 0.9121
281 N2I 0.9120
282 2K8 0.9120
283 EWG 0.9120
284 EDR 0.9119
285 0TU 0.9118
286 97T 0.9118
287 12T 0.9117
288 1X7 0.9117
289 5B1 0.9117
290 4XS 0.9117
291 8G0 0.9116
292 5WU 0.9116
293 D48 0.9116
294 BRT 0.9116
295 BP7 0.9115
296 PD2 0.9115
297 8XQ 0.9115
298 KT7 0.9114
299 92K 0.9114
300 OVP 0.9114
301 V2Z 0.9113
302 PZI 0.9112
303 2BG 0.9112
304 BCU 0.9112
305 FER 0.9112
306 KKN 0.9110
307 BK9 0.9110
308 4TU 0.9110
309 NMJ 0.9110
310 JTH 0.9108
311 EV0 0.9107
312 14W 0.9107
313 G3E 0.9106
314 15L 0.9105
315 MQN 0.9105
316 PEY 0.9105
317 UFV 0.9105
318 D8Q 0.9104
319 GTR 0.9104
320 4JQ 0.9103
321 2FY 0.9103
322 DRG 0.9103
323 QBK 0.9102
324 GVG 0.9101
325 12Q 0.9100
326 PHE 0.9100
327 IJZ 0.9099
328 QBM 0.9097
329 53C 0.9097
330 ESX 0.9097
331 SHA 0.9096
332 HDH 0.9095
333 OX2 0.9095
334 GJZ 0.9095
335 6J9 0.9093
336 X48 0.9093
337 KDV 0.9092
338 3NT 0.9092
339 KJH 0.9091
340 APS 0.9090
341 ES0 0.9090
342 TYL 0.9089
343 5QX 0.9089
344 J5I 0.9089
345 CK2 0.9089
346 KW8 0.9088
347 PRF 0.9087
348 AS3 0.9086
349 BZ3 0.9086
350 3AB 0.9085
351 XQK 0.9082
352 FOT 0.9081
353 6XI 0.9081
354 1XA 0.9079
355 3IT 0.9078
356 94W 0.9078
357 J9Q 0.9078
358 C9M 0.9077
359 NVU 0.9077
360 URC 0.9076
361 IAC 0.9076
362 6FZ 0.9076
363 CLZ 0.9075
364 9TZ 0.9075
365 BTY 0.9073
366 5OB 0.9072
367 SE2 0.9071
368 B5D 0.9069
369 M78 0.9067
370 JP2 0.9067
371 4ZA 0.9065
372 KYA 0.9065
373 Q6T 0.9064
374 FUD 0.9062
375 3QV 0.9061
376 DEE 0.9061
377 SQ7 0.9060
378 I6G 0.9060
379 4YO 0.9059
380 A7H 0.9059
381 BGC 0.9059
382 FE DB1 0.9058
383 34D 0.9058
384 0W8 0.9058
385 ORO 0.9057
386 ADA 0.9057
387 QBS 0.9057
388 OTR 0.9057
389 42C 0.9056
390 O45 0.9056
391 OVV 0.9055
392 R2P 0.9054
393 8GC 0.9053
394 2HC 0.9053
395 52C 0.9052
396 X0U 0.9051
397 AC2 0.9050
398 7NI 0.9048
399 JF1 0.9048
400 GLC 0.9048
401 TZM 0.9047
402 AW5 0.9046
403 KWH 0.9042
404 5HN 0.9039
405 ES7 0.9039
406 CK1 0.9038
407 ARP 0.9038
408 J6W 0.9038
409 MUA 0.9038
410 SDD 0.9037
411 TIY 0.9036
412 55D 0.9035
413 4P5 0.9035
414 3J8 0.9033
415 61M 0.9033
416 P7Y 0.9033
417 LT2 0.9033
418 8GK 0.9033
419 CN0 0.9029
420 GCU 0.9029
421 DOR 0.9029
422 MSR 0.9028
423 3OC 0.9028
424 7W1 0.9027
425 EN1 0.9027
426 A9O 0.9027
427 HJH 0.9026
428 VYM 0.9026
429 2A9 0.9025
430 Q71 0.9024
431 HPT 0.9024
432 4Z4 0.9024
433 DHC 0.9024
434 4WL 0.9023
435 GO2 0.9023
436 GAL 0.9022
437 30G 0.9021
438 MS9 0.9021
439 MXD 0.9021
440 9UL 0.9020
441 5WY 0.9019
442 AKH 0.9019
443 XRX 0.9017
444 D1X 0.9015
445 TNX 0.9014
446 I3A 0.9013
447 G3F 0.9011
448 IOS 0.9010
449 M0Q 0.9010
450 2UZ 0.9010
451 HIS 0.9010
452 GTQ 0.9009
453 0XT 0.9009
454 RUY 0.9009
455 3BZ 0.9008
456 TT4 0.9008
457 ZZZ 0.9006
458 ISZ 0.9006
459 S7S 0.9005
460 EV3 0.9003
461 BHO 0.9002
462 DEW 0.9002
463 EYY 0.9000
464 UNC 0.9000
465 75K 0.9000
466 54G 0.8999
467 42A 0.8999
468 8U3 0.8999
469 HNQ 0.8998
470 7ZL 0.8997
471 AVA 0.8997
472 BIK 0.8996
473 RKV 0.8996
474 3MG 0.8996
475 JU2 0.8996
476 H33 0.8995
477 Z5P 0.8993
478 HLZ 0.8993
479 SKA 0.8992
480 5TY 0.8991
481 1SQ 0.8990
482 AKG 0.8990
483 MAJ 0.8989
484 6DP 0.8989
485 KJU 0.8988
486 KF5 0.8987
487 1M2 0.8987
488 TOF 0.8987
489 GNM 0.8987
490 C2U 0.8986
491 EA1 0.8986
492 7VS 0.8986
493 ODO 0.8986
494 KTA 0.8986
495 M1H 0.8985
496 7VP 0.8985
497 XQ0 0.8985
498 4RU 0.8984
499 IWT 0.8984
500 GCS 0.8984
501 PJW 0.8983
502 SX1 0.8983
503 M0W 0.8982
504 9KT 0.8981
505 LI6 0.8981
506 S60 0.8981
507 9AP 0.8980
508 GLO 0.8980
509 NPA 0.8980
510 TQU 0.8979
511 ISN 0.8978
512 1Z8 0.8977
513 N2Z 0.8977
514 PIM 0.8976
515 GYE 0.8976
516 3ID 0.8975
517 TSR 0.8974
518 DMD 0.8974
519 FA6 0.8974
520 X6P 0.8974
521 BNL 0.8973
522 MR1 0.8973
523 2AK 0.8972
524 CR1 0.8972
525 8TX 0.8971
526 8S0 0.8971
527 6CS 0.8971
528 1HN 0.8970
529 BGU 0.8970
530 AH9 0.8970
531 AOS 0.8970
532 9GP 0.8970
533 5M0 0.8969
534 505 0.8968
535 OXC 0.8968
536 HJP 0.8968
537 F69 0.8967
538 XIY 0.8967
539 LDR 0.8966
540 G4D 0.8966
541 5RG 0.8965
542 B55 0.8965
543 X11 0.8965
544 OGA 0.8965
545 4XF 0.8963
546 GNL 0.8962
547 878 0.8961
548 7FF 0.8961
549 LL1 0.8961
550 MD6 0.8960
551 MNP 0.8960
552 0GZ 0.8959
553 MUR 0.8959
554 IOP 0.8959
555 LYL 0.8959
556 3AL 0.8959
557 HLD 0.8958
558 INE 0.8958
559 4Z3 0.8957
560 FA1 0.8957
561 68A 0.8956
562 B21 0.8956
563 CFI 0.8955
564 1VK 0.8954
565 NIZ 0.8953
566 5MK 0.8952
567 GJP 0.8951
568 3HP 0.8951
569 QMS 0.8950
570 ES5 0.8950
571 QPR 0.8950
572 GCB 0.8950
573 B2J 0.8950
574 2JK 0.8949
575 03V 0.8948
576 54X 0.8948
577 5TZ 0.8948
578 4XR 0.8947
579 1L5 0.8947
580 F9Y 0.8946
581 MPK 0.8946
582 QIC 0.8946
583 WUB 0.8945
584 TTL 0.8945
585 2SX 0.8945
586 LPK 0.8944
587 1AL 0.8943
588 STX 0.8943
589 HX4 0.8942
590 M4T 0.8941
591 9LI 0.8941
592 5F8 0.8940
593 D2G 0.8939
594 B56 0.8938
595 363 0.8938
596 I1E 0.8937
597 NID 0.8937
598 2HG 0.8936
599 PHU 0.8934
600 RAT 0.8934
601 ITE 0.8933
602 78Y 0.8933
603 PPY 0.8932
604 8IG 0.8932
605 4FS 0.8931
606 LGC 0.8931
607 QUS 0.8930
608 5OF 0.8930
609 TAG 0.8930
610 MO8 0.8927
611 KG1 0.8927
612 1WC 0.8926
613 TZF 0.8925
614 TTY 0.8925
615 TGX 0.8924
616 HNK 0.8924
617 CPZ 0.8923
618 64C 0.8923
619 JF2 0.8921
620 PQ0 0.8920
621 5GU 0.8920
622 36Y 0.8919
623 428 0.8918
624 6NZ 0.8918
625 JF6 0.8918
626 2F6 0.8917
627 1NP 0.8917
628 BQ5 0.8917
629 5JQ 0.8916
630 IQ5 0.8916
631 8G6 0.8915
632 1X8 0.8914
633 BNF 0.8914
634 XXG 0.8913
635 BDI 0.8913
636 TIU 0.8913
637 ZYQ 0.8912
638 ZHA 0.8912
639 NOY 0.8912
640 X8Z 0.8912
641 5WV 0.8911
642 ANF 0.8911
643 MBG 0.8911
644 7HQ 0.8910
645 7MW 0.8910
646 7B3 0.8910
647 5JL 0.8910
648 6X9 0.8910
649 268 0.8908
650 GOX 0.8908
651 OCH 0.8907
652 EYV 0.8907
653 1Z6 0.8907
654 FLV 0.8907
655 67Y 0.8906
656 L46 0.8905
657 2H5 0.8905
658 4BY 0.8903
659 3BU 0.8903
660 DBH 0.8903
661 FBM 0.8903
662 FA0 0.8903
663 PIY 0.8903
664 293 0.8902
665 M3H 0.8901
666 ASO 0.8901
667 MWP 0.8901
668 6KT 0.8900
669 COU 0.8899
670 SBK 0.8898
671 SNU 0.8897
672 3F0 0.8896
673 3HA 0.8894
674 A5E 0.8893
675 LZ2 0.8893
676 AVI 0.8893
677 S2P 0.8892
678 FEH 0.8892
679 2AQ 0.8891
680 DX3 0.8891
681 NQH 0.8891
682 MUK 0.8891
683 PAC 0.8891
684 AN3 0.8890
685 D3G 0.8889
686 FA3 0.8889
687 N2M 0.8888
688 DK1 0.8888
689 4BL 0.8888
690 226 0.8888
691 20J 0.8887
692 XIZ 0.8886
693 4M0 0.8886
694 HDL 0.8885
695 JBH 0.8884
696 AIN 0.8884
697 OTD 0.8883
698 DBJ 0.8883
699 S8D 0.8883
700 1LQ 0.8881
701 PRA 0.8881
702 4FA 0.8880
703 LZM 0.8879
704 DPZ 0.8879
705 28S 0.8879
706 I3E 0.8879
707 DQA 0.8879
708 CFF 0.8877
709 BHA 0.8877
710 NQ 0.8876
711 SOL 0.8876
712 4I8 0.8876
713 GLU 0.8876
714 7ZE 0.8875
715 5IQ 0.8875
716 YO5 0.8875
717 4VY 0.8875
718 CIT 0.8875
719 537 0.8874
720 DGJ 0.8874
721 PO6 0.8874
722 8WZ 0.8871
723 DA4 0.8871
724 YIO 0.8871
725 HC4 0.8871
726 4VS 0.8870
727 EVA 0.8870
728 3R4 0.8869
729 KTJ 0.8869
730 G12 0.8868
731 DOB 0.8868
732 2EC 0.8868
733 5SG 0.8867
734 0BP 0.8867
735 3M0 0.8866
736 795 0.8866
737 5NS 0.8865
738 3ZB 0.8865
739 1GN 0.8865
740 NOJ 0.8865
741 QMP 0.8864
742 FHC 0.8864
743 9BF 0.8863
744 57O 0.8863
745 FIX 0.8861
746 N9J 0.8861
747 VK3 0.8860
748 AA 0.8860
749 4YS 0.8860
750 AOT 0.8860
751 KBB 0.8859
752 W29 0.8858
753 KLK 0.8858
754 R8V 0.8858
755 PHB 0.8857
756 UNJ 0.8856
757 AJ2 0.8856
758 FP1 0.8856
759 GOE 0.8855
760 NLA 0.8855
761 KMY 0.8855
762 C1M 0.8854
763 2ZQ 0.8853
764 BHS 0.8853
765 AMQ 0.8852
766 NYL 0.8852
767 1LM 0.8851
768 CSN 0.8851
769 5VL 0.8851
770 IL5 0.8850
771 5E5 0.8850
772 3DO 0.8850
773 6BL 0.8849
774 27B 0.8848
775 JRB 0.8848
776 H42 0.8847
777 ES1 0.8846
778 IPT 0.8846
779 67X 0.8846
780 FBB 0.8846
781 A9P 0.8845
782 ROI 0.8844
783 H4B 0.8844
784 BRH 0.8844
785 36E 0.8843
786 HHH 0.8843
787 4XY 0.8842
788 NIG 0.8841
789 GIV 0.8841
790 1P8 0.8841
791 DPT 0.8840
792 N5J 0.8839
793 6VD 0.8839
794 0LH 0.8838
795 HHA 0.8838
796 SVD 0.8838
797 9KH 0.8838
798 ES2 0.8837
799 RNT 0.8836
800 5NE 0.8835
801 DAH 0.8835
802 HNL 0.8835
803 F9P 0.8835
804 BIO 0.8834
805 NCT 0.8834
806 MPP 0.8834
807 TPA 0.8834
808 JPZ 0.8833
809 ZON 0.8833
810 92G 0.8832
811 AL0 0.8832
812 AC6 0.8832
813 0NX 0.8830
814 TR4 0.8829
815 4NO 0.8829
816 2CZ 0.8829
817 G1P 0.8829
818 RXA 0.8828
819 36M 0.8828
820 A5H 0.8828
821 ET2 0.8828
822 M5N 0.8827
823 IFL 0.8826
824 NOK 0.8826
825 LSQ 0.8825
826 R8S 0.8825
827 M6N 0.8825
828 MIL 0.8825
829 5Q0 0.8824
830 XFE 0.8824
831 SXS 0.8823
832 PAB 0.8823
833 M1Q 0.8822
834 PBZ 0.8822
835 6HP 0.8821
836 XEN 0.8821
837 HRM 0.8821
838 5JT 0.8820
839 5CU 0.8820
840 CTS 0.8820
841 3Z7 0.8820
842 ZB1 0.8819
843 PH3 0.8818
844 K80 0.8817
845 5LA 0.8816
846 R8Y 0.8816
847 KWB 0.8815
848 TMG 0.8815
849 GVY 0.8813
850 9MG 0.8813
851 OSB 0.8813
852 K2T 0.8813
853 261 0.8813
854 A13 0.8812
855 G2F 0.8812
856 24W 0.8812
857 7W4 0.8810
858 FBW 0.8810
859 3C5 0.8810
860 37T 0.8809
861 DBX 0.8808
862 HBD 0.8808
863 HIC 0.8807
864 VGD 0.8807
865 1Y6 0.8807
866 46P 0.8807
867 173 0.8806
868 BCK 0.8806
869 FBU 0.8806
870 2FG 0.8804
871 7MK 0.8804
872 JBK 0.8804
873 717 0.8804
874 H5B 0.8803
875 U7E 0.8803
876 K22 0.8802
877 NPO 0.8802
878 549 0.8802
879 5NU 0.8801
880 AHR 0.8800
881 BB4 0.8799
882 1FF 0.8799
883 MHK 0.8798
884 HL5 0.8798
885 TRP 0.8798
886 2LP 0.8797
887 149 0.8797
888 W81 0.8797
889 C0H 0.8796
890 KIB 0.8795
891 51R 0.8795
892 XXP 0.8795
893 GXY 0.8793
894 RNS 0.8793
895 2J2 0.8793
896 XCZ 0.8793
897 2IT 0.8792
898 GDL 0.8792
899 EE8 0.8791
900 GXL 0.8791
901 MAQ 0.8790
902 4XH 0.8790
903 4AB 0.8790
904 MJ2 0.8790
905 DHR 0.8788
906 K25 0.8787
907 HQ9 0.8787
908 82I 0.8787
909 HBI 0.8785
910 H2B 0.8785
911 GSY 0.8785
912 DIU 0.8785
913 P80 0.8785
914 GRX 0.8784
915 MCO 0.8783
916 F6P 0.8781
917 36R 0.8780
918 O72 0.8779
919 M1E 0.8779
920 X8D 0.8778
921 Q77 0.8777
922 0LO 0.8777
923 PE0 0.8777
924 HQY 0.8776
925 NDH 0.8776
926 GLA 0.8776
927 PNZ 0.8776
928 7B4 0.8776
929 Q24 0.8775
930 495 0.8775
931 ATX 0.8775
932 2DL 0.8775
933 SKF 0.8774
934 258 0.8774
935 CKA 0.8773
936 EYK 0.8773
937 AQO 0.8773
938 RM1 0.8772
939 J9N 0.8771
940 EVF 0.8771
941 0SY 0.8770
942 ZSP 0.8770
943 SOV 0.8769
944 REL 0.8768
945 512 0.8767
946 091 0.8767
947 XCG 0.8767
948 I2E 0.8766
949 MYI 0.8765
950 CC5 0.8764
951 JZA 0.8764
952 J9W 0.8764
953 THA 0.8764
954 4LW 0.8764
955 PXL 0.8764
956 MER 0.8763
957 CFA 0.8762
958 39U 0.8762
959 HH8 0.8762
960 B60 0.8761
961 IF7 0.8761
962 4HC 0.8761
963 K32 0.8761
964 6HO 0.8761
965 PHH 0.8760
966 DRL 0.8760
967 DC5 0.8760
968 XQG 0.8759
969 AM1 0.8759
970 L7T 0.8758
971 KJY 0.8758
972 GLN 0.8758
973 YOF 0.8757
974 DIE 0.8757
975 49P 0.8757
976 M5K 0.8757
977 HKD 0.8756
978 F52 0.8756
979 SJ5 0.8756
980 WOE 0.8753
981 SWA 0.8753
982 5VM 0.8752
983 LJ3 0.8752
984 49O 0.8751
985 5FL 0.8751
986 AEF 0.8750
987 F1X 0.8749
988 PBA 0.8749
989 GCO 0.8748
990 1P3 0.8748
991 NCD 0.8748
992 MT0 0.8747
993 OKM 0.8746
994 OCZ 0.8746
995 UN1 0.8746
996 NDM 0.8745
997 YRL 0.8745
998 JXW 0.8744
999 G6P 0.8744
1000 NLQ 0.8743
1001 WOO 0.8743
1002 6OT 0.8742
1003 61O 0.8741
1004 8VN 0.8740
1005 K5W 0.8740
1006 4JT 0.8739
1007 QAT 0.8738
1008 DNA 0.8736
1009 LAO 0.8736
1010 KIA 0.8735
1011 SOE 0.8734
1012 SYV 0.8732
1013 MS0 0.8732
1014 2QC 0.8730
1015 IBM 0.8729
1016 DE5 0.8729
1017 TCA 0.8728
1018 64E 0.8728
1019 E5X 0.8728
1020 0FN 0.8726
1021 4MA 0.8726
1022 5GT 0.8726
1023 LIP 0.8725
1024 MMS 0.8725
1025 KGK 0.8723
1026 K44 0.8723
1027 TYE 0.8722
1028 ONZ 0.8720
1029 II6 0.8719
1030 STT 0.8719
1031 S2G 0.8719
1032 JTA 0.8718
1033 O2Y 0.8718
1034 S98 0.8718
1035 FXH 0.8718
1036 AZ8 0.8718
1037 ANN 0.8718
1038 826 0.8717
1039 MQB 0.8717
1040 4FF 0.8717
1041 7ZC 0.8716
1042 CTL 0.8716
1043 X05 0.8715
1044 AX7 0.8715
1045 FDB 0.8711
1046 GNV 0.8711
1047 XM5 0.8711
1048 DXP 0.8711
1049 FWD 0.8711
1050 9PY 0.8711
1051 MEW 0.8711
1052 JA8 0.8709
1053 5V7 0.8708
1054 FCD 0.8707
1055 6E8 0.8706
1056 CLW 0.8706
1057 DI6 0.8705
1058 2WU 0.8705
1059 6FB 0.8704
1060 3XX 0.8704
1061 AMS 0.8703
1062 X6X 0.8702
1063 DDU 0.8702
1064 SHG 0.8701
1065 8VE 0.8700
1066 JGB 0.8700
1067 OA3 0.8699
1068 ZZ3 0.8699
1069 I7B 0.8698
1070 FTV 0.8698
1071 4ZC 0.8697
1072 CWD 0.8696
1073 A1Y 0.8696
1074 M1A 0.8695
1075 BSX 0.8695
1076 23J 0.8695
1077 P72 0.8694
1078 5XB 0.8694
1079 GLY PRO 0.8693
1080 W8G 0.8692
1081 6LW 0.8692
1082 BPN 0.8692
1083 SR1 0.8690
1084 ABF 0.8689
1085 M3Q 0.8689
1086 AMG 0.8689
1087 YZM 0.8688
1088 IPB 0.8688
1089 67N 0.8687
1090 2KA 0.8687
1091 GM7 0.8686
1092 774 0.8686
1093 FLC 0.8686
1094 HF2 0.8685
1095 PJL 0.8685
1096 HL4 0.8684
1097 ENO 0.8684
1098 GJS 0.8683
1099 H70 0.8683
1100 DXK 0.8683
1101 AMH 0.8683
1102 MFZ 0.8682
1103 WSD 0.8682
1104 2KU 0.8680
1105 2B4 0.8679
1106 TEP 0.8678
1107 HZQ 0.8678
1108 3FH 0.8676
1109 FRU 0.8674
1110 F06 0.8673
1111 CBF 0.8673
1112 LYS 0.8673
1113 8MO 0.8672
1114 GAF 0.8671
1115 ABV 0.8671
1116 S0E 0.8670
1117 FK8 0.8670
1118 K37 0.8670
1119 RUG 0.8670
1120 D07 0.8670
1121 H62 0.8670
1122 M02 0.8669
1123 B41 0.8669
1124 3TC 0.8669
1125 K97 0.8668
1126 B57 0.8668
1127 FAN 0.8667
1128 BWD 0.8667
1129 RVE 0.8665
1130 IWD 0.8664
1131 AZM 0.8663
1132 GZ8 0.8662
1133 HA7 0.8662
1134 Y3L 0.8661
1135 TB8 0.8660
1136 TXW 0.8660
1137 SLC 0.8658
1138 4NM 0.8658
1139 KFH 0.8657
1140 JYB 0.8657
1141 CXF 0.8657
1142 I7A 0.8656
1143 BM3 0.8656
1144 B85 0.8656
1145 ADZ 0.8656
1146 259 0.8653
1147 IPD 0.8652
1148 6M9 0.8652
1149 NTZ 0.8650
1150 LFQ 0.8648
1151 ICT 0.8648
1152 HJ8 0.8648
1153 TIH 0.8647
1154 JB5 0.8646
1155 TYR 0.8646
1156 QIV 0.8641
1157 GNY 0.8641
1158 WS7 0.8638
1159 25O 0.8638
1160 7O4 0.8637
1161 KDG 0.8636
1162 AED 0.8634
1163 CTE 0.8634
1164 H7S 0.8633
1165 QAS 0.8632
1166 F4K 0.8632
1167 TSU 0.8632
1168 NGA 0.8631
1169 FQX 0.8631
1170 ZYV 0.8631
1171 SW7 0.8631
1172 DGN 0.8631
1173 2MI 0.8628
1174 DTR 0.8625
1175 HCI 0.8625
1176 Z82 0.8624
1177 4BZ 0.8624
1178 P84 0.8624
1179 5WT 0.8623
1180 JKZ 0.8623
1181 PYQ 0.8622
1182 2D2 0.8622
1183 FDK 0.8622
1184 3YP 0.8622
1185 174 0.8620
1186 HSX 0.8619
1187 GTL 0.8619
1188 R9G 0.8619
1189 ZRK 0.8618
1190 0FR 0.8618
1191 CNI 0.8616
1192 YPN 0.8616
1193 UKV 0.8615
1194 PFB 0.8615
1195 M6P 0.8614
1196 2GQ 0.8613
1197 Q02 0.8611
1198 4GP 0.8611
1199 OQC 0.8610
1200 KYN 0.8609
1201 SHI 0.8609
1202 K3Y 0.8607
1203 AUV 0.8607
1204 NCV 0.8605
1205 ES6 0.8604
1206 6PB 0.8603
1207 SD4 0.8600
1208 5AE 0.8600
1209 3DM 0.8597
1210 SJK 0.8597
1211 DIR 0.8597
1212 G5V 0.8597
1213 F5C 0.8596
1214 BGP 0.8596
1215 SN4 0.8596
1216 RNO 0.8595
1217 BY5 0.8595
1218 HFA 0.8594
1219 HHI 0.8592
1220 270 0.8591
1221 OAA 0.8590
1222 SNO 0.8589
1223 C53 0.8585
1224 6ZW 0.8584
1225 SAN 0.8584
1226 2FX 0.8582
1227 SYE 0.8581
1228 0GY 0.8581
1229 DPN 0.8579
1230 2UD 0.8577
1231 JCZ 0.8577
1232 RBV 0.8575
1233 KNA 0.8574
1234 BEZ 0.8573
1235 32X 0.8572
1236 0A9 0.8572
1237 JYT 0.8572
1238 JXN 0.8571
1239 LQ2 0.8570
1240 THM 0.8570
1241 S76 0.8565
1242 4J8 0.8565
1243 JXK 0.8564
1244 ESP 0.8564
1245 C8O 0.8563
1246 IA2 0.8562
1247 NCA 0.8558
1248 AC0 0.8557
1249 DUR 0.8554
1250 A3M 0.8550
1251 RP3 0.8550
1252 BEN 0.8545
1253 AEG 0.8540
1254 A5P 0.8529
1255 FBS 0.8526
1256 TFU 0.8524
1257 5B2 0.8524
1258 IQQ 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WB4; Ligand: SXX; 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: 1wb4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WB4; Ligand: SXX; 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: 1wb4.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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