Receptor
PDB id Resolution Class Description Source Keywords
6HJE 2 Å EC: 5.1.1.4 TRYPANOSOMA CRUZI PROLINE RACEMASE IN COMPLEX WITH INHIBITOR TRYPANOSOMA CRUZI (STRAIN CL BRENER) PROLINE RACEMASE DRUG DESIGN MICHAEL REACTION ISOMERASE
Ref.: DESIGNED MONO- AND DI-COVALENT INHIBITORS TRAP MODE FUNCTIONAL MOTIONS FOR TRYPANOSOMA CRUZI PROLINE RA CRYSTALLOGRAPHY. PLOS NEGL TROP DIS V. 12 06853 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7N0 B:501;
A:502;
 Valid;
Valid;
 none;
none;
 submit data
142.152 C7 H10 O3 C1C[C...
PO4 A:501;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W62 2.5 Å EC: 5.1.1.4 PROLINE RACEMASE IN COMPLEX WITH ONE MOLECULE OF PYRROLE-2-C ACID (HEMI FORM) TRYPANOSOMA CRUZI (STRAIN CL BRENER) RACEMASE RACEMASE PYRIDOXAL PHOSPHATE-INDEPENDENT STEREO IB-CELL MITOGEN HOMODIMER ALPHA/BETA DOMAINS
Ref.: CRYSTAL STRUCTURE, CATALYTIC MECHANISM, AND MITOGEN PROPERTIES OF TRYPANOSOMA CRUZI PROLINE RACEMASE. PROC. NATL. ACAD. SCI. V. 103 1705 2006 U.S.A.
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6HJE - 7N0 C7 H10 O3 C1C[C@H](C....
2 6HJG - SHF C5 H8 O3 CC(=O)CCC(....
3 1W62 Ka = 4600000 M^-1 PYC C5 H4 N O2 c1cc([nH]c....
4 1W61 - PYC C5 H4 N O2 c1cc([nH]c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6HJE - 7N0 C7 H10 O3 C1C[C@H](C....
2 6HJG - SHF C5 H8 O3 CC(=O)CCC(....
3 1W62 Ka = 4600000 M^-1 PYC C5 H4 N O2 c1cc([nH]c....
4 1W61 - PYC C5 H4 N O2 c1cc([nH]c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6R77 - HY3 C5 H9 N O3 C1CN[C@@H]....
2 6HJE - 7N0 C7 H10 O3 C1C[C@H](C....
3 6HJG - SHF C5 H8 O3 CC(=O)CCC(....
4 1W62 Ka = 4600000 M^-1 PYC C5 H4 N O2 c1cc([nH]c....
5 1W61 - PYC C5 H4 N O2 c1cc([nH]c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7N0; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 7N0 1 1
2 KTA 0.439024 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: 7N0; Similar ligands found: 1136
No: Ligand Similarity coefficient
1 PZI 0.9828
2 MLT 0.9662
3 SRT 0.9623
4 BNS 0.9621
5 PBC 0.9600
6 TLA 0.9599
7 OAA 0.9576
8 ES6 0.9566
9 BAM 0.9563
10 6PC 0.9554
11 SS2 0.9551
12 LMR 0.9543
13 SAL 0.9541
14 BE2 0.9541
15 4SV 0.9536
16 3U4 0.9534
17 PMB 0.9529
18 PZA 0.9525
19 7A8 0.9524
20 3SK 0.9515
21 NPO 0.9512
22 HIO 0.9507
23 ASP 0.9504
24 BHO 0.9502
25 ASN 0.9502
26 QY9 0.9501
27 SS1 0.9495
28 GJZ 0.9489
29 BEZ 0.9488
30 QSC 0.9482
31 FBV 0.9482
32 PHU 0.9481
33 DS0 0.9479
34 I1E 0.9478
35 PAC 0.9459
36 IP0 0.9459
37 AC6 0.9454
38 DOB 0.9453
39 BEN 0.9452
40 261 0.9452
41 ORO 0.9452
42 NCA 0.9449
43 UNU 0.9446
44 OK7 0.9445
45 JKE 0.9444
46 T9G 0.9444
47 AKG 0.9442
48 M58 0.9440
49 ITN 0.9440
50 NIO 0.9437
51 CXF 0.9436
52 ISZ 0.9432
53 3OC 0.9425
54 RSO 0.9424
55 5CU 0.9418
56 FE DB1 0.9414
57 YCP 0.9413
58 1WD 0.9412
59 FP1 0.9411
60 FB2 0.9409
61 7WV 0.9407
62 40E 0.9407
63 7WG 0.9407
64 TEO 0.9401
65 FA0 0.9401
66 D1X 0.9401
67 BHA 0.9400
68 2PG 0.9398
69 FBM 0.9395
70 COI 0.9391
71 FB1 0.9390
72 NIZ 0.9389
73 PEA 0.9389
74 4M0 0.9384
75 268 0.9384
76 VGL 0.9381
77 52C 0.9380
78 AC0 0.9378
79 60P 0.9377
80 DBH 0.9375
81 GLU 0.9375
82 BZX 0.9375
83 LEU 0.9374
84 NBZ 0.9374
85 3F0 0.9373
86 CRN 0.9372
87 SHA 0.9370
88 GAB 0.9370
89 GAG 0.9365
90 3HA 0.9365
91 OEM 0.9363
92 5AC 0.9357
93 3M0 0.9356
94 DAS 0.9356
95 FBW 0.9350
96 IT9 0.9349
97 DOR 0.9349
98 CFI 0.9348
99 HDH 0.9346
100 DHB 0.9346
101 2LP 0.9344
102 FCR 0.9343
103 MUC 0.9343
104 IPB 0.9340
105 DYA 0.9339
106 VNJ 0.9337
107 PEP 0.9337
108 FEH 0.9334
109 OVV 0.9332
110 3AB 0.9327
111 HBA 0.9325
112 0R0 0.9321
113 TAR 0.9320
114 NTN 0.9318
115 MR1 0.9316
116 URS 0.9315
117 F9P 0.9312
118 R9S 0.9311
119 SIN 0.9311
120 JZ7 0.9310
121 51R 0.9306
122 FQI 0.9304
123 PAB 0.9304
124 PHB 0.9301
125 2AL 0.9301
126 34D 0.9301
127 HY1 0.9297
128 BSX 0.9296
129 M4T 0.9287
130 URQ 0.9284
131 1LN 0.9280
132 FAN 0.9280
133 GBD 0.9279
134 PEL 0.9279
135 54D 0.9277
136 RNT 0.9276
137 J9T 0.9275
138 4NC 0.9275
139 INO 0.9275
140 DPR 0.9274
141 53C 0.9272
142 OXQ 0.9271
143 4CS 0.9269
144 TSU 0.9269
145 TZE 0.9269
146 JZ3 0.9267
147 SVD 0.9265
148 5OB 0.9265
149 FBA 0.9263
150 IOM 0.9262
151 1DV 0.9262
152 MXN 0.9262
153 4JT 0.9262
154 KOJ 0.9261
155 51F 0.9260
156 1Y6 0.9260
157 XCZ 0.9259
158 HSM 0.9259
159 BDP 0.9258
160 DHK 0.9258
161 NYL 0.9256
162 HBX 0.9254
163 OHP 0.9253
164 BZ3 0.9252
165 8OZ 0.9250
166 SAN 0.9249
167 8EZ 0.9249
168 3HB 0.9246
169 1DJ 0.9244
170 MNN 0.9244
171 4VP 0.9244
172 XM0 0.9243
173 2RH 0.9243
174 IF7 0.9241
175 M6W 0.9241
176 PRZ 0.9240
177 J9Q 0.9238
178 EDG 0.9238
179 OTR 0.9238
180 3NT 0.9238
181 1SA 0.9237
182 92K 0.9236
183 HBD 0.9231
184 BNF 0.9231
185 5HY 0.9229
186 54G 0.9228
187 GGL 0.9226
188 2IT 0.9226
189 271 0.9226
190 FUM 0.9226
191 717 0.9225
192 PRO 0.9225
193 GLN 0.9224
194 5RG 0.9224
195 GTQ 0.9224
196 K7M 0.9224
197 2AS 0.9224
198 SJ5 0.9223
199 PRY 0.9222
200 SX1 0.9220
201 AAS 0.9219
202 5M0 0.9218
203 K5W 0.9218
204 23J 0.9218
205 3LR 0.9217
206 JZ4 0.9217
207 GZL 0.9217
208 DHS 0.9216
209 97T 0.9215
210 FOC 0.9215
211 PEQ 0.9213
212 2FY 0.9212
213 4RW 0.9212
214 9TZ 0.9210
215 XBT 0.9209
216 GYE 0.9209
217 ASC 0.9208
218 EKZ 0.9207
219 PBZ 0.9206
220 RMN 0.9205
221 FBS 0.9205
222 4MA 0.9204
223 MRZ 0.9203
224 MS9 0.9202
225 JYD 0.9202
226 NK 0.9202
227 SYG 0.9200
228 3AL 0.9199
229 TPA 0.9199
230 QMP 0.9199
231 HIS 0.9199
232 069 0.9196
233 ABN 0.9193
234 K34 0.9192
235 93K 0.9190
236 RAT 0.9189
237 SYN 0.9189
238 CIZ 0.9188
239 49F 0.9185
240 3SL 0.9184
241 SW7 0.9184
242 HZP 0.9182
243 H8N 0.9182
244 2HO 0.9180
245 KBB 0.9179
246 5MK 0.9179
247 DGN 0.9179
248 SPV 0.9179
249 R9M 0.9179
250 AMS 0.9178
251 4P5 0.9177
252 R1X 0.9176
253 R2B 0.9176
254 THE 0.9174
255 4J8 0.9172
256 98J 0.9172
257 9ON 0.9172
258 2HG 0.9172
259 24B 0.9169
260 TYL 0.9169
261 AHB 0.9168
262 UY7 0.9168
263 RIB 0.9167
264 CEE 0.9166
265 Q88 0.9166
266 LNR 0.9165
267 IMR 0.9165
268 JZ5 0.9165
269 4XV 0.9165
270 SD4 0.9163
271 4JL 0.9161
272 PCA 0.9160
273 SMN 0.9158
274 OGA 0.9158
275 HYP 0.9157
276 AX7 0.9155
277 YRL 0.9155
278 MYJ 0.9155
279 RHU 0.9154
280 DGJ 0.9153
281 ROR 0.9153
282 UYA 0.9153
283 NSP 0.9152
284 5NU 0.9152
285 4AA 0.9151
286 DFB 0.9150
287 4FH 0.9149
288 7MU 0.9148
289 3PG 0.9147
290 DBX 0.9145
291 ILE 0.9144
292 IFP 0.9144
293 X0V 0.9144
294 EYK 0.9143
295 PRS 0.9142
296 URP 0.9142
297 G3P 0.9141
298 G3H 0.9141
299 A13 0.9141
300 ABV 0.9140
301 M3H 0.9139
302 FYU 0.9139
303 258 0.9137
304 AMC 0.9137
305 CN0 0.9136
306 GRE 0.9135
307 6F0 0.9134
308 R8A 0.9134
309 AHR 0.9134
310 GZ3 0.9132
311 HPS 0.9132
312 PYJ 0.9130
313 PPR 0.9130
314 XIY 0.9127
315 3FH 0.9127
316 264 0.9126
317 N2Z 0.9126
318 Z82 0.9126
319 ONL 0.9124
320 ZXD 0.9124
321 B24 0.9124
322 K6H 0.9123
323 HSE 0.9123
324 MAE 0.9123
325 P9P 0.9122
326 HDA 0.9122
327 8GL 0.9121
328 P3K 0.9121
329 APY 0.9120
330 270 0.9118
331 6M1 0.9117
332 JZ1 0.9117
333 5H1 0.9115
334 173 0.9114
335 3XX 0.9113
336 SPA 0.9112
337 NCT 0.9112
338 9TW 0.9112
339 PIM 0.9110
340 6M4 0.9109
341 DGL 0.9108
342 9X7 0.9107
343 PYF 0.9107
344 PY7 0.9107
345 NBE 0.9105
346 2BG 0.9105
347 14J 0.9105
348 QDK 0.9104
349 AL0 0.9104
350 6AI 0.9104
351 FBU 0.9104
352 TIU 0.9103
353 RBJ 0.9102
354 XYL 0.9102
355 RB5 0.9102
356 1MR 0.9102
357 2CK 0.9102
358 PGH 0.9101
359 GP9 0.9101
360 4FA 0.9100
361 2MI 0.9099
362 C2B 0.9099
363 IDM 0.9099
364 8H8 0.9098
365 FPI 0.9098
366 XAN 0.9098
367 4XR 0.9097
368 F05 0.9095
369 ZZT 0.9092
370 HHA 0.9092
371 14O 0.9091
372 SMV 0.9091
373 MLE 0.9090
374 TZL 0.9089
375 3BZ 0.9089
376 1M2 0.9089
377 AEF 0.9088
378 3NY 0.9088
379 XX2 0.9087
380 GUA 0.9087
381 RBL 0.9085
382 5NI 0.9084
383 SC2 0.9084
384 NVA 0.9082
385 2PC 0.9082
386 L99 0.9081
387 PMF 0.9081
388 F60 0.9080
389 CHB 0.9080
390 TAG 0.9079
391 IFL 0.9079
392 4XS 0.9079
393 ODO 0.9077
394 ZGL 0.9077
395 23W 0.9077
396 JF6 0.9077
397 9YL 0.9076
398 IHG 0.9074
399 1DU 0.9073
400 MWP 0.9073
401 PRA 0.9071
402 0HO 0.9071
403 EV0 0.9071
404 FUB 0.9070
405 JBN 0.9069
406 CXP 0.9069
407 IT2 0.9069
408 GRO 0.9068
409 P72 0.9068
410 GUN 0.9068
411 IHB 0.9068
412 N4B 0.9066
413 ASO 0.9063
414 45L 0.9062
415 PO6 0.9062
416 4Z4 0.9062
417 FBJ 0.9062
418 TH7 0.9062
419 JAE 0.9061
420 3HP 0.9061
421 9DG 0.9061
422 5MI 0.9060
423 2CO 0.9060
424 BP9 0.9060
425 2K4 0.9060
426 5FX 0.9058
427 13P 0.9058
428 DI6 0.9057
429 S2G 0.9057
430 2CL 0.9057
431 TZC 0.9057
432 2FT 0.9056
433 286 0.9056
434 1DQ 0.9056
435 BE7 0.9055
436 VNL 0.9055
437 0V5 0.9054
438 E7Z 0.9053
439 GLL 0.9053
440 UFV 0.9053
441 5MB 0.9051
442 LDP 0.9050
443 4SX 0.9050
444 COU 0.9050
445 PKU 0.9045
446 UGC 0.9045
447 XLS 0.9044
448 GVG 0.9044
449 NXA 0.9043
450 0HN 0.9042
451 1F1 0.9041
452 B85 0.9041
453 IZC 0.9041
454 SYM 0.9040
455 8GC 0.9040
456 A09 0.9038
457 HMU 0.9036
458 NOJ 0.9035
459 C2A 0.9034
460 2ZM 0.9033
461 1P3 0.9032
462 GIF 0.9031
463 1LQ 0.9031
464 ORN 0.9028
465 P92 0.9027
466 XUL 0.9026
467 LNO 0.9026
468 OHG 0.9025
469 KMH 0.9024
470 HYA 0.9024
471 5XC 0.9024
472 EDR 0.9023
473 LDU 0.9023
474 9RW 0.9022
475 TP5 0.9022
476 3QM 0.9021
477 RNS 0.9020
478 I4B 0.9019
479 ES2 0.9017
480 LYL 0.9015
481 6JN 0.9015
482 HY3 0.9013
483 6CS 0.9013
484 CTL 0.9013
485 3PF 0.9013
486 SN4 0.9012
487 HL5 0.9011
488 LT1 0.9010
489 OXC 0.9010
490 I3A 0.9008
491 03V 0.9005
492 449 0.9005
493 NMJ 0.9005
494 HSO 0.9005
495 MSR 0.9004
496 OKG 0.9003
497 JBE 0.9003
498 1P8 0.9003
499 282 0.9001
500 KP6 0.9001
501 NMG 0.9001
502 4JM 0.9000
503 B2J 0.9000
504 AOS 0.8999
505 PZM 0.8998
506 AS3 0.8998
507 AMH 0.8997
508 BDR 0.8997
509 4ZA 0.8997
510 ABI 0.8997
511 6NI 0.8997
512 OMD 0.8995
513 9CL 0.8994
514 KYD 0.8993
515 L14 0.8992
516 SAF 0.8992
517 IPZ 0.8992
518 2A7 0.8992
519 DHI 0.8991
520 HPA 0.8991
521 TGX 0.8991
522 NFQ 0.8990
523 IJZ 0.8989
524 5HN 0.8988
525 FBT 0.8988
526 URC 0.8988
527 X1S 0.8986
528 4WL 0.8986
529 KMT 0.8985
530 FOA 0.8985
531 3V4 0.8985
532 AGK 0.8984
533 2F6 0.8984
534 PYC 0.8984
535 PBE 0.8983
536 PAH 0.8983
537 GLC 0.8982
538 HCS 0.8981
539 SKM 0.8981
540 DHR 0.8980
541 FA1 0.8978
542 DAB 0.8978
543 CMS 0.8978
544 ICF 0.8976
545 H42 0.8974
546 GLY ALA 0.8974
547 6NT 0.8974
548 826 0.8973
549 VKC 0.8972
550 69O 0.8972
551 HMH 0.8970
552 1AB 0.8970
553 ZBT 0.8970
554 WCE 0.8970
555 5GU 0.8969
556 SNE 0.8967
557 G2F 0.8967
558 4FS 0.8966
559 BGC 0.8966
560 IPM 0.8963
561 XSP 0.8963
562 MED 0.8962
563 HHH 0.8962
564 QSB 0.8962
565 FK8 0.8961
566 SEP 0.8961
567 NOY 0.8959
568 MET 0.8958
569 HH5 0.8958
570 GDE 0.8956
571 MAN 0.8955
572 AW5 0.8954
573 FOT 0.8953
574 BNL 0.8952
575 OXZ 0.8951
576 PEZ 0.8950
577 2AQ 0.8949
578 R2P 0.8949
579 SHF 0.8949
580 4NG 0.8949
581 DEE 0.8947
582 4HM 0.8947
583 4HC 0.8942
584 PIY 0.8941
585 EHM 0.8940
586 4MV 0.8940
587 GG6 0.8940
588 1GP 0.8938
589 1WC 0.8938
590 M45 0.8937
591 F4E 0.8936
592 ES9 0.8935
593 G2H 0.8935
594 JFJ 0.8935
595 PG3 0.8934
596 0P6 0.8934
597 AZF 0.8933
598 T2C 0.8933
599 174 0.8932
600 NLE 0.8931
601 42J 0.8931
602 4YO 0.8931
603 MRY 0.8930
604 DEN 0.8930
605 NNO 0.8927
606 OCH 0.8927
607 23A 0.8926
608 PRI 0.8925
609 1PT 0.8925
610 BML 0.8925
611 ES5 0.8923
612 TFB 0.8923
613 URF 0.8923
614 HX3 0.8923
615 KJU 0.8923
616 LZ1 0.8922
617 SR1 0.8921
618 CAX 0.8920
619 MEV 0.8918
620 AC5 0.8918
621 QUZ 0.8916
622 11S 0.8915
623 AX3 0.8915
624 G4D 0.8914
625 PSE 0.8913
626 SWA 0.8913
627 278 0.8912
628 4P0 0.8911
629 67N 0.8911
630 G5V 0.8910
631 J0Z 0.8910
632 H76 0.8910
633 IFM 0.8910
634 DAL DAL 0.8909
635 6FZ 0.8909
636 3A9 0.8909
637 LCN 0.8906
638 OVM 0.8906
639 JRB 0.8905
640 PAF 0.8904
641 ANN 0.8904
642 8TX 0.8904
643 HQJ 0.8903
644 OW4 0.8902
645 ADE 0.8902
646 ICO 0.8901
647 O7U 0.8901
648 PGA 0.8900
649 CTS 0.8900
650 LT2 0.8899
651 GLA 0.8897
652 5QX 0.8897
653 7HP 0.8896
654 C21 0.8895
655 V55 0.8895
656 B40 0.8894
657 HCI 0.8894
658 SYV 0.8894
659 263 0.8893
660 FA3 0.8893
661 8WO 0.8892
662 DHY 0.8891
663 269 0.8890
664 8K2 0.8890
665 MNM 0.8890
666 0R1 0.8890
667 ET2 0.8889
668 4JU 0.8889
669 DMJ 0.8888
670 QUS 0.8887
671 BZI 0.8887
672 IND 0.8886
673 GAL 0.8886
674 GBN 0.8886
675 CPZ 0.8886
676 HXX 0.8884
677 HX2 0.8884
678 273 0.8884
679 EUG 0.8883
680 NPY 0.8882
681 M2K 0.8882
682 NDH 0.8882
683 C2U 0.8881
684 MEQ 0.8881
685 ACH 0.8881
686 280 0.8879
687 RUY 0.8879
688 2A9 0.8878
689 Q6T 0.8878
690 SYC 0.8877
691 FHB 0.8877
692 HC4 0.8877
693 6OT 0.8876
694 4CH 0.8876
695 ADA 0.8875
696 JLZ 0.8874
697 4HO 0.8873
698 8ZE 0.8872
699 3ID 0.8872
700 DE5 0.8872
701 BRT 0.8871
702 3YP 0.8871
703 DQA 0.8871
704 GAF 0.8870
705 DMV 0.8870
706 L5V 0.8869
707 MJ2 0.8869
708 JAW 0.8868
709 FPY 0.8866
710 3HM 0.8866
711 6LW 0.8866
712 2TQ 0.8866
713 BTE 0.8865
714 4JQ 0.8863
715 GTR 0.8862
716 PNZ 0.8861
717 S2P 0.8860
718 QSH 0.8860
719 M1A 0.8859
720 DYT 0.8859
721 4A3 0.8858
722 3DO 0.8857
723 JB5 0.8856
724 GLO 0.8855
725 JZ9 0.8854
726 GCB 0.8853
727 FK1 0.8853
728 GVH 0.8853
729 2H5 0.8849
730 QIC 0.8849
731 46P 0.8849
732 34V 0.8848
733 H4N 0.8847
734 4HP 0.8846
735 149 0.8845
736 VAH 0.8844
737 5QY 0.8844
738 Q02 0.8842
739 CDV 0.8842
740 ZZ3 0.8842
741 2EH 0.8842
742 GCU 0.8841
743 MPI 0.8840
744 PLU 0.8840
745 VAL 0.8840
746 BZ2 0.8840
747 HDL 0.8839
748 290 0.8839
749 Z6J 0.8838
750 RUU 0.8838
751 RM1 0.8838
752 BZF 0.8837
753 PH3 0.8837
754 ES0 0.8836
755 LPK 0.8835
756 LLQ 0.8835
757 4NM 0.8835
758 SKG 0.8834
759 42C 0.8833
760 WBU 0.8833
761 CLW 0.8832
762 SHI 0.8832
763 HQ9 0.8832
764 1MC 0.8830
765 ICB 0.8830
766 FLA 0.8830
767 2D0 0.8829
768 7HQ 0.8829
769 TTL 0.8829
770 6M9 0.8829
771 141 0.8828
772 7C3 0.8828
773 AZA 0.8828
774 YPN 0.8827
775 VGD 0.8826
776 ISD 0.8826
777 LRH 0.8825
778 HQE 0.8825
779 PHE 0.8825
780 NCD 0.8824
781 X6X 0.8823
782 IGA 0.8823
783 M1E 0.8823
784 PSJ 0.8822
785 XIZ 0.8822
786 LSA 0.8822
787 A29 0.8821
788 Z5P 0.8821
789 ONR 0.8821
790 0OC 0.8821
791 AH8 0.8820
792 3DM 0.8820
793 JB8 0.8819
794 CWM 0.8819
795 5RN 0.8819
796 2FG 0.8818
797 A2F 0.8817
798 AEG 0.8817
799 DIU 0.8816
800 BCU 0.8816
801 36R 0.8816
802 5XB 0.8815
803 F9Y 0.8815
804 EA1 0.8814
805 TIH 0.8814
806 MCT 0.8813
807 JDN 0.8813
808 3BU 0.8811
809 N5J 0.8811
810 1DW 0.8810
811 TDR 0.8808
812 PLQ 0.8807
813 GZQ 0.8806
814 K2T 0.8805
815 6GU 0.8805
816 3IT 0.8803
817 YIO 0.8802
818 F69 0.8802
819 5IQ 0.8800
820 RUJ 0.8800
821 FBB 0.8800
822 LG4 0.8800
823 0F9 0.8800
824 XQ0 0.8799
825 4ZC 0.8798
826 7B4 0.8798
827 82I 0.8797
828 DMD 0.8797
829 0CT 0.8796
830 265 0.8796
831 APG 0.8796
832 C1M 0.8796
833 M1Q 0.8796
834 E5X 0.8795
835 B57 0.8795
836 AFR 0.8794
837 EVA 0.8793
838 5UC 0.8793
839 AKH 0.8792
840 PXY 0.8792
841 2MH 0.8791
842 HF2 0.8791
843 XYD 0.8789
844 ISN 0.8788
845 GOJ 0.8787
846 S8V 0.8786
847 JBK 0.8786
848 M2H 0.8786
849 CIT 0.8785
850 8WT 0.8785
851 1AL 0.8784
852 LGC 0.8781
853 GLY GLY 0.8780
854 G8M 0.8779
855 KKN 0.8779
856 JTH 0.8779
857 F31 0.8778
858 AZG 0.8777
859 GCS 0.8777
860 FGZ 0.8776
861 9EW 0.8775
862 24W 0.8775
863 JAB 0.8774
864 SOE 0.8774
865 RIP 0.8770
866 6TZ 0.8769
867 SVN 0.8769
868 M4S 0.8768
869 ES1 0.8768
870 XXG 0.8766
871 Q24 0.8765
872 FPN 0.8764
873 2AC 0.8763
874 ABU 0.8763
875 SDD 0.8762
876 3MB 0.8761
877 8EW 0.8760
878 FPK 0.8760
879 HVQ 0.8759
880 BVC 0.8759
881 0RW 0.8758
882 2DR 0.8758
883 KDF 0.8757
884 CFP 0.8757
885 152 0.8757
886 BPN 0.8756
887 HHI 0.8756
888 92P 0.8754
889 DA1 0.8754
890 25R 0.8754
891 BDF 0.8753
892 F81 0.8753
893 0JD 0.8752
894 MLI 0.8752
895 5SG 0.8751
896 4ZE 0.8751
897 XBZ 0.8751
898 4HS 0.8751
899 PCR 0.8751
900 ARW 0.8751
901 B3U 0.8750
902 3C4 0.8750
903 KIV 0.8748
904 TSS 0.8748
905 6AP 0.8748
906 32O 0.8748
907 XYP 0.8747
908 1P7 0.8745
909 4PN 0.8745
910 2BX 0.8744
911 N2I 0.8744
912 FLC 0.8744
913 NVI 0.8744
914 N7P 0.8744
915 PYD 0.8743
916 2MP 0.8743
917 8NY 0.8743
918 5Q0 0.8742
919 IDH 0.8742
920 P84 0.8742
921 HA7 0.8741
922 GXL 0.8740
923 4CL 0.8740
924 TM7 0.8738
925 LYS 0.8738
926 SME 0.8737
927 MWM 0.8736
928 4JC 0.8736
929 MAH 0.8735
930 HL4 0.8735
931 10L 0.8734
932 I3E 0.8733
933 MAK 0.8732
934 4JJ 0.8729
935 DX4 0.8729
936 3R9 0.8729
937 5WV 0.8729
938 4JP 0.8728
939 PBA 0.8728
940 GWM 0.8727
941 PAE 0.8726
942 MZ0 0.8726
943 1SQ 0.8725
944 7W4 0.8725
945 293 0.8724
946 SOR 0.8724
947 QFH 0.8723
948 5VM 0.8722
949 FSG 0.8722
950 F0J 0.8722
951 GLY CYS 0.8721
952 TRA 0.8721
953 9J3 0.8719
954 0MK 0.8718
955 15N 0.8718
956 2YU 0.8717
957 AMQ 0.8717
958 JND 0.8717
959 TH0 0.8716
960 CRS 0.8716
961 S76 0.8715
962 JPZ 0.8714
963 S24 0.8714
964 OSE 0.8713
965 2EC 0.8712
966 4ME 0.8712
967 ES7 0.8709
968 1CO 0.8708
969 34A 0.8707
970 J9W 0.8707
971 DPN 0.8707
972 AZ8 0.8705
973 C2Y 0.8704
974 DCL 0.8702
975 HFA 0.8702
976 SIF 0.8702
977 MZB 0.8700
978 2XX 0.8700
979 TT4 0.8699
980 9DA 0.8698
981 6MP 0.8696
982 BMA 0.8696
983 MLA 0.8695
984 4YS 0.8694
985 FUD 0.8694
986 HHT 0.8692
987 AVI 0.8690
988 5JC 0.8687
989 1XM 0.8687
990 3S5 0.8687
991 GLY PRO 0.8685
992 9SE 0.8684
993 YH7 0.8683
994 F1A 0.8683
995 2EZ 0.8683
996 FRU 0.8682
997 GCO 0.8682
998 SNU 0.8681
999 4BZ 0.8680
1000 BHH 0.8680
1001 9PY 0.8679
1002 NEQ 0.8679
1003 KDG 0.8678
1004 1NP 0.8677
1005 5MH 0.8676
1006 GIV 0.8675
1007 MWJ 0.8675
1008 GLF 0.8675
1009 3Z7 0.8675
1010 95Z 0.8675
1011 KUF 0.8675
1012 N8P 0.8672
1013 5B1 0.8672
1014 36Y 0.8671
1015 XX3 0.8670
1016 2HU 0.8670
1017 POP 0.8670
1018 KVP 0.8670
1019 AT3 0.8669
1020 9HX 0.8669
1021 ALO 0.8669
1022 BVG 0.8669
1023 ESP 0.8668
1024 FDB 0.8667
1025 XXP 0.8667
1026 2ZV 0.8666
1027 N3W 0.8666
1028 CSS 0.8665
1029 PE0 0.8662
1030 36E 0.8662
1031 B53 0.8660
1032 12Q 0.8660
1033 AJ2 0.8659
1034 HA5 0.8657
1035 AN0 0.8657
1036 DTU 0.8655
1037 EOL 0.8655
1038 SOL 0.8654
1039 PPY 0.8654
1040 CWS 0.8653
1041 HLR 0.8652
1042 MPD 0.8652
1043 SLC 0.8651
1044 BR9 0.8650
1045 9X6 0.8649
1046 HT4 0.8649
1047 12M 0.8648
1048 HQY 0.8648
1049 284 0.8648
1050 41K 0.8647
1051 86J 0.8647
1052 ALL 0.8646
1053 A7W 0.8645
1054 HNK 0.8643
1055 DCO 0.8643
1056 PCT 0.8642
1057 SSN 0.8640
1058 DFU 0.8639
1059 M5K 0.8635
1060 MZT 0.8634
1061 27Y 0.8632
1062 KBG 0.8630
1063 CYX 0.8630
1064 FDK 0.8629
1065 GOO 0.8628
1066 94B 0.8626
1067 FW5 0.8625
1068 PPV 0.8625
1069 4XH 0.8622
1070 FUF 0.8622
1071 9RH 0.8620
1072 TB6 0.8619
1073 MAJ 0.8618
1074 AQO 0.8618
1075 8S0 0.8618
1076 7WA 0.8615
1077 R20 0.8615
1078 260 0.8614
1079 GXY 0.8614
1080 PA1 0.8613
1081 ARB 0.8611
1082 ECE 0.8610
1083 B62 0.8609
1084 DIN 0.8607
1085 MEW 0.8607
1086 BP1 0.8603
1087 UEG 0.8602
1088 XYS 0.8602
1089 DIE 0.8601
1090 L3Q 0.8600
1091 LZM 0.8597
1092 HH8 0.8595
1093 5JQ 0.8594
1094 KPL 0.8593
1095 7W1 0.8592
1096 SHG 0.8591
1097 259 0.8590
1098 NTM 0.8589
1099 XAZ 0.8589
1100 IAC 0.8587
1101 CFA 0.8587
1102 IV2 0.8582
1103 PPT 0.8581
1104 AAE 0.8581
1105 MPV 0.8580
1106 WOO 0.8579
1107 EMZ 0.8579
1108 2PN 0.8579
1109 42A 0.8578
1110 J6W 0.8577
1111 BOA 0.8572
1112 KJY 0.8570
1113 5DI 0.8569
1114 9R5 0.8569
1115 0CU 0.8567
1116 3RK 0.8567
1117 75K 0.8565
1118 IPU 0.8565
1119 I38 0.8557
1120 PYG 0.8557
1121 DA4 0.8557
1122 MRW 0.8556
1123 KT7 0.8556
1124 B55 0.8555
1125 R8S 0.8554
1126 ABE 0.8549
1127 ES4 0.8543
1128 8CM 0.8541
1129 44V 0.8537
1130 23B 0.8537
1131 MMA 0.8531
1132 FCA 0.8526
1133 VOH 0.8522
1134 HQT 0.8520
1135 PXL 0.8519
1136 0TU 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W62; Ligand: PYC; 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: 1w62.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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