Receptor
PDB id Resolution Class Description Source Keywords
2GKL 1.86 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF THE ZINC CARBAPENEMASE CPHA IN COMPLEX INHIBITOR PYRIDINE-2,4-DICARBOXYLATE AEROMONAS HYDROPHILA HYDROLASE LACTAMASE INHIBITOR ZN
Ref.: COMPETITIVE INHIBITORS OF THE CPHA METALLO-{BETA}-L FROM AEROMONAS HYDROPHILA ANTIMICROB.AGENTS CHEMOTHER. V. 51 2136 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:3;
A:4;
A:5;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
PD2 A:2;
 Valid;
 none;
 Ki = 4.5 uM
167.119 C7 H5 N O4 c1cnc...
ZN A:401;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IOG 1.41 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF CPHA N220G MUTANT WITH INHIBITOR 18 AEROMONAS HYDROPHILA HYDROLASE ANTIBIOTIC RESISTANCE METAL-BINDING
Ref.: MERCAPTOPHOSPHONATE COMPOUNDS AS BROAD-SPECTRUM INH OF THE METALLO-BETA-LACTAMASES J.MED.CHEM. V. 53 4862 2010
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 1X8I - BMH C15 H22 N4 O5 S C[C@@H]1[C....
2 3IOF Ki = 6 uM IFS C13 H21 O3 P S CC(C)OP(=O....
3 3IOG Ki = 3 uM SDF C7 H7 Cl2 O3 P S c1cc(c(cc1....
4 2GKL Ki = 4.5 uM PD2 C7 H5 N O4 c1cnc(cc1C....
5 2QDS Ki = 72 uM MCO C9 H15 N O3 S C[C@H](CS)....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 1X8I - BMH C15 H22 N4 O5 S C[C@@H]1[C....
2 3IOF Ki = 6 uM IFS C13 H21 O3 P S CC(C)OP(=O....
3 3IOG Ki = 3 uM SDF C7 H7 Cl2 O3 P S c1cc(c(cc1....
4 2GKL Ki = 4.5 uM PD2 C7 H5 N O4 c1cnc(cc1C....
5 2QDS Ki = 72 uM MCO C9 H15 N O3 S C[C@H](CS)....
6 5EW0 Ki = 0.26 uM 3C7 C7 H11 N O2 S3 C1[C@H](N2....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1X8I - BMH C15 H22 N4 O5 S C[C@@H]1[C....
2 3IOF Ki = 6 uM IFS C13 H21 O3 P S CC(C)OP(=O....
3 3IOG Ki = 3 uM SDF C7 H7 Cl2 O3 P S c1cc(c(cc1....
4 2GKL Ki = 4.5 uM PD2 C7 H5 N O4 c1cnc(cc1C....
5 2QDS Ki = 72 uM MCO C9 H15 N O3 S C[C@H](CS)....
6 5EW0 Ki = 0.26 uM 3C7 C7 H11 N O2 S3 C1[C@H](N2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PD2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PD2 1 1
2 VGL 0.432432 0.68
Similar Ligands (3D)
Ligand no: 1; Ligand: PD2; Similar ligands found: 1062
No: Ligand Similarity coefficient
1 8G0 1.0000
2 PDC 1.0000
3 DNF 0.9742
4 M2K 0.9739
5 OVM 0.9712
6 3MB 0.9697
7 HLD 0.9662
8 ICO 0.9653
9 OW4 0.9650
10 6NT 0.9643
11 OW7 0.9633
12 0GZ 0.9622
13 2HU 0.9622
14 5RN 0.9620
15 2ZM 0.9618
16 RD4 0.9616
17 3A9 0.9605
18 3NY 0.9595
19 0HN 0.9592
20 OVP 0.9591
21 1F1 0.9584
22 ABI 0.9583
23 6NI 0.9577
24 5NI 0.9577
25 0HO 0.9576
26 JAW 0.9576
27 15N 0.9575
28 HA5 0.9571
29 JB8 0.9554
30 9FE 0.9552
31 JDN 0.9550
32 0JD 0.9537
33 SSC 0.9532
34 NID 0.9512
35 PEY 0.9508
36 5OB 0.9497
37 C2Y 0.9493
38 DNC 0.9493
39 4TU 0.9487
40 E1T 0.9485
41 BK9 0.9481
42 5WY 0.9481
43 5XB 0.9466
44 F12 0.9465
45 F31 0.9464
46 92P 0.9463
47 OTD 0.9462
48 EA1 0.9458
49 MB1 0.9452
50 KYA 0.9443
51 BZ3 0.9442
52 9ZE 0.9422
53 5XC 0.9418
54 3R6 0.9416
55 2O6 0.9414
56 INE 0.9404
57 SLS 0.9398
58 M5H 0.9395
59 VNL 0.9392
60 Z5P 0.9389
61 II6 0.9382
62 M4E 0.9375
63 9FL 0.9375
64 Q6T 0.9373
65 0F9 0.9369
66 R8S 0.9368
67 QPR 0.9364
68 J9Q 0.9357
69 CWJ 0.9355
70 I3A 0.9353
71 ONR 0.9352
72 30G 0.9352
73 LEL 0.9351
74 1AL 0.9350
75 TIU 0.9341
76 TSS 0.9339
77 GTQ 0.9338
78 6KT 0.9336
79 RM1 0.9335
80 N2I 0.9333
81 PQK 0.9330
82 7NI 0.9324
83 M0W 0.9324
84 MNP 0.9323
85 42C 0.9321
86 0FK 0.9318
87 8HC 0.9316
88 7HQ 0.9314
89 GAB 0.9309
90 DA4 0.9308
91 4ME 0.9308
92 9CA 0.9307
93 94W 0.9304
94 2LY 0.9303
95 MAJ 0.9303
96 3HB 0.9303
97 97T 0.9302
98 PFL 0.9300
99 7ZE 0.9298
100 1IT 0.9297
101 M1E 0.9293
102 5VL 0.9290
103 SRO 0.9290
104 OVV 0.9289
105 6R8 0.9287
106 OGA 0.9286
107 BGC 0.9281
108 AKH 0.9278
109 WCE 0.9277
110 BCU 0.9276
111 BZJ 0.9271
112 54G 0.9267
113 4CS 0.9267
114 FE DB1 0.9262
115 HLZ 0.9262
116 7VS 0.9261
117 GV9 0.9253
118 5F5 0.9252
119 3NT 0.9248
120 BRT 0.9247
121 53C 0.9246
122 3BZ 0.9245
123 8XL 0.9240
124 173 0.9240
125 AKG 0.9240
126 PJW 0.9239
127 NMJ 0.9238
128 5RG 0.9237
129 V55 0.9236
130 DEW 0.9236
131 N2Z 0.9235
132 CHB 0.9233
133 2AL 0.9229
134 FA0 0.9229
135 2ZQ 0.9226
136 AHN 0.9223
137 IAC 0.9223
138 BHA 0.9222
139 NVU 0.9221
140 VM1 0.9219
141 0LH 0.9219
142 8GC 0.9218
143 F9Y 0.9213
144 2F6 0.9212
145 3AB 0.9210
146 M1H 0.9210
147 TSR 0.9208
148 5RO 0.9206
149 DRG 0.9206
150 M0Q 0.9204
151 DBJ 0.9204
152 42A 0.9201
153 P9P 0.9201
154 BQ2 0.9200
155 M1Q 0.9199
156 AZM 0.9196
157 MZM 0.9196
158 8ZE 0.9195
159 F0J 0.9193
160 ODO 0.9193
161 6CS 0.9193
162 61M 0.9192
163 MR1 0.9190
164 XQG 0.9189
165 3HG 0.9188
166 LDR 0.9187
167 CH9 0.9187
168 7UC 0.9186
169 EUG 0.9184
170 EWG 0.9182
171 QBK 0.9182
172 4KL 0.9181
173 7MW 0.9180
174 9TW 0.9180
175 DHB 0.9179
176 FHB 0.9178
177 LZM 0.9178
178 6VD 0.9178
179 5HN 0.9177
180 PRO GLY 0.9177
181 UAN 0.9176
182 5M0 0.9173
183 J9T 0.9173
184 J9W 0.9172
185 4Z4 0.9171
186 APS 0.9169
187 4HM 0.9167
188 069 0.9165
189 NNO 0.9165
190 N8Y 0.9160
191 M6Z 0.9159
192 INO 0.9156
193 4M0 0.9155
194 7WR 0.9154
195 1HN 0.9153
196 A7H 0.9152
197 GJP 0.9148
198 URC 0.9148
199 9TZ 0.9146
200 52C 0.9146
201 BDP 0.9145
202 DOB 0.9143
203 XEN 0.9142
204 9AP 0.9142
205 5MK 0.9141
206 4AV 0.9139
207 4M4 0.9139
208 45L 0.9139
209 ARP 0.9136
210 YZM 0.9134
211 4NC 0.9134
212 8WO 0.9134
213 TT4 0.9133
214 5CU 0.9133
215 2HG 0.9133
216 A29 0.9130
217 2FY 0.9130
218 9R5 0.9129
219 E7Z 0.9129
220 QSB 0.9127
221 CKA 0.9127
222 IOS 0.9126
223 5NE 0.9123
224 TTY 0.9122
225 BTY 0.9122
226 4A3 0.9121
227 DIE 0.9119
228 SKF 0.9118
229 M45 0.9118
230 7MU 0.9118
231 IPB 0.9117
232 VXX 0.9115
233 M6N 0.9115
234 AQO 0.9115
235 93K 0.9114
236 4HC 0.9113
237 IHB 0.9113
238 KDV 0.9112
239 JLZ 0.9112
240 SHA 0.9111
241 4FS 0.9111
242 FUD 0.9111
243 O2A 0.9110
244 XAZ 0.9108
245 H42 0.9107
246 4RU 0.9106
247 2AQ 0.9103
248 OCH 0.9103
249 GO2 0.9102
250 XX3 0.9102
251 6BL 0.9102
252 MQB 0.9100
253 5NU 0.9100
254 HHA 0.9100
255 MYJ 0.9099
256 MS9 0.9099
257 12Q 0.9099
258 2HO 0.9096
259 4A5 0.9095
260 AL0 0.9094
261 3HM 0.9094
262 3DM 0.9092
263 NLA 0.9092
264 HQT 0.9092
265 AH8 0.9091
266 SX1 0.9090
267 HQJ 0.9090
268 6DP 0.9088
269 7FF 0.9088
270 03V 0.9088
271 S2G 0.9088
272 PRZ 0.9087
273 TTL 0.9086
274 M78 0.9085
275 M5K 0.9085
276 MEW 0.9085
277 4I8 0.9084
278 COU 0.9084
279 XX2 0.9084
280 FLC 0.9084
281 1A7 0.9083
282 AZ8 0.9083
283 DRL 0.9083
284 AJ2 0.9081
285 GLN 0.9078
286 SKA 0.9077
287 5JQ 0.9075
288 GDE 0.9074
289 28N 0.9073
290 P9E 0.9073
291 75K 0.9073
292 1L5 0.9072
293 Q24 0.9071
294 S0E 0.9069
295 2HQ 0.9069
296 2BG 0.9069
297 KJU 0.9068
298 ET2 0.9068
299 6ME 0.9067
300 JB5 0.9065
301 7O4 0.9065
302 86J 0.9062
303 ESI 0.9062
304 ES5 0.9060
305 NDH 0.9060
306 ZYR 0.9060
307 E5X 0.9060
308 ICT 0.9059
309 7I2 0.9058
310 6TZ 0.9058
311 463 0.9057
312 44W 0.9057
313 PE0 0.9056
314 4P5 0.9056
315 DNA 0.9055
316 CIT 0.9055
317 2HC 0.9054
318 3AL 0.9054
319 MUA 0.9054
320 TYL 0.9054
321 3OC 0.9049
322 3HA 0.9047
323 GNL 0.9045
324 W81 0.9044
325 1VK 0.9044
326 8TX 0.9043
327 HIS 0.9042
328 DOR 0.9042
329 Q02 0.9041
330 K97 0.9041
331 SKM 0.9040
332 1P7 0.9040
333 B55 0.9039
334 OXC 0.9038
335 7W1 0.9038
336 5NS 0.9037
337 CSN 0.9036
338 B62 0.9035
339 G3F 0.9035
340 5GU 0.9034
341 FIX 0.9032
342 LDP 0.9031
343 1QP 0.9030
344 L99 0.9030
345 FBB 0.9030
346 RXA 0.9030
347 HNQ 0.9029
348 QX4 0.9028
349 EOL 0.9027
350 ES2 0.9027
351 PBA 0.9026
352 GLC 0.9026
353 XYL 0.9025
354 RB5 0.9025
355 9SE 0.9025
356 LZ2 0.9024
357 N1E 0.9024
358 5B1 0.9023
359 8GK 0.9022
360 GCO 0.9021
361 BEA 0.9021
362 X8D 0.9021
363 GUN 0.9021
364 51R 0.9020
365 MHK 0.9020
366 1P3 0.9019
367 IV2 0.9018
368 DQU 0.9017
369 K2T 0.9016
370 KTW 0.9016
371 ORO 0.9016
372 ESP 0.9015
373 AW5 0.9014
374 44V 0.9011
375 MO8 0.9011
376 9DG 0.9011
377 OMD 0.9010
378 4JQ 0.9010
379 R20 0.9009
380 4JT 0.9009
381 CN0 0.9009
382 ASC 0.9008
383 GAL 0.9007
384 KJH 0.9006
385 RJY 0.9005
386 UNC 0.9004
387 DBH 0.9004
388 NQ 0.9004
389 34D 0.9003
390 AEH 0.9003
391 QMS 0.9002
392 3F0 0.9002
393 SOR 0.9002
394 LT2 0.9002
395 5QX 0.9000
396 DII 0.9000
397 D1X 0.8999
398 NCD 0.8998
399 ZON 0.8997
400 XAN 0.8996
401 ANF 0.8995
402 AA 0.8994
403 9UL 0.8994
404 3M0 0.8992
405 SYA 0.8990
406 KDG 0.8990
407 36R 0.8990
408 3MG 0.8990
409 KBB 0.8988
410 DBX 0.8987
411 X09 0.8987
412 CLW 0.8986
413 FOT 0.8986
414 DHY 0.8986
415 QSH 0.8985
416 VGD 0.8984
417 2KA 0.8984
418 YH7 0.8983
419 L5V 0.8983
420 0N7 0.8983
421 XHP 0.8983
422 4WL 0.8982
423 DHK 0.8981
424 RNT 0.8981
425 1P8 0.8980
426 JAE 0.8978
427 3DO 0.8977
428 7MX 0.8977
429 67X 0.8976
430 FBW 0.8976
431 M3H 0.8976
432 DHS 0.8975
433 EYK 0.8975
434 5JL 0.8975
435 KUF 0.8975
436 NCT 0.8973
437 3PF 0.8973
438 CTL 0.8973
439 LNR 0.8972
440 9MG 0.8972
441 141 0.8971
442 HHI 0.8971
443 LGC 0.8968
444 VK3 0.8968
445 PNZ 0.8968
446 8WT 0.8967
447 BZ2 0.8967
448 6AP 0.8967
449 GZL 0.8966
450 C2U 0.8966
451 8U3 0.8964
452 AZA 0.8963
453 MVN 0.8963
454 JF2 0.8963
455 11S 0.8963
456 C9E 0.8963
457 4AA 0.8963
458 ESX 0.8961
459 4MU 0.8960
460 RNS 0.8960
461 OA1 0.8959
462 GLU 0.8959
463 2IT 0.8958
464 6FZ 0.8958
465 HC4 0.8958
466 27B 0.8957
467 H5B 0.8956
468 CXH 0.8954
469 2UZ 0.8953
470 NOJ 0.8953
471 OTW 0.8950
472 4BZ 0.8950
473 8XQ 0.8950
474 JA8 0.8949
475 OKM 0.8948
476 GLO 0.8947
477 EUE 0.8946
478 U7E 0.8946
479 IFL 0.8946
480 IJZ 0.8945
481 2A9 0.8945
482 MSR 0.8945
483 D07 0.8944
484 JBK 0.8944
485 5LD 0.8943
486 GCB 0.8942
487 AZG 0.8942
488 BPU 0.8941
489 5MI 0.8941
490 A2F 0.8940
491 ES9 0.8939
492 2AK 0.8938
493 4SX 0.8938
494 1WC 0.8938
495 41K 0.8937
496 8S0 0.8935
497 GOJ 0.8934
498 IGA 0.8934
499 F60 0.8932
500 TVP 0.8932
501 AJV 0.8932
502 MQN 0.8932
503 AZ9 0.8932
504 AY4 0.8932
505 M1A 0.8932
506 HQD 0.8931
507 4ZC 0.8930
508 TWO 0.8930
509 5GT 0.8930
510 LFC 0.8929
511 091 0.8928
512 363 0.8927
513 3BU 0.8927
514 CWS 0.8927
515 5H1 0.8926
516 JF1 0.8926
517 DXP 0.8924
518 5MB 0.8924
519 H4N 0.8924
520 ANN 0.8924
521 X0V 0.8924
522 TRC 0.8923
523 14O 0.8923
524 6HO 0.8922
525 V1T 0.8921
526 2K4 0.8921
527 NPA 0.8921
528 ICB 0.8918
529 6AI 0.8917
530 XCZ 0.8916
531 ALA ALA 0.8916
532 BZX 0.8916
533 EVA 0.8915
534 7ME 0.8915
535 6GU 0.8915
536 ASO 0.8914
537 0FO 0.8914
538 2SX 0.8912
539 H7Y 0.8911
540 FYU 0.8911
541 NFM 0.8908
542 HMH 0.8908
543 DHR 0.8907
544 XRG 0.8906
545 HA7 0.8906
546 FK1 0.8905
547 GCU 0.8905
548 8NB 0.8904
549 FRU 0.8904
550 KIB 0.8903
551 KIA 0.8903
552 4YO 0.8903
553 717 0.8903
554 AMR 0.8902
555 THA 0.8902
556 HDH 0.8902
557 NAG 0.8901
558 G2F 0.8901
559 4FH 0.8900
560 5VM 0.8900
561 FGZ 0.8899
562 AOR 0.8896
563 BOA 0.8895
564 1XM 0.8894
565 BHO 0.8894
566 8OZ 0.8894
567 GZ2 0.8894
568 8NX 0.8893
569 8W9 0.8893
570 XLS 0.8893
571 PH3 0.8892
572 GYE 0.8892
573 HMU 0.8890
574 0W1 0.8889
575 TGX 0.8889
576 PXL 0.8887
577 0TU 0.8886
578 M3Q 0.8886
579 KMH 0.8884
580 PIY 0.8884
581 D48 0.8884
582 NOY 0.8883
583 5QY 0.8883
584 152 0.8882
585 SF9 0.8882
586 EXD 0.8881
587 ZZ8 0.8880
588 23J 0.8878
589 XIY 0.8878
590 SYV 0.8877
591 FP1 0.8877
592 8IG 0.8876
593 GCS 0.8876
594 0W8 0.8876
595 NF3 0.8875
596 3ID 0.8875
597 0BP 0.8874
598 1DW 0.8872
599 XDK 0.8872
600 G3E 0.8871
601 0GY 0.8871
602 4ZA 0.8870
603 5F8 0.8869
604 12T 0.8869
605 M44 0.8869
606 GVG 0.8869
607 4NM 0.8868
608 5TZ 0.8868
609 JND 0.8866
610 ZZT 0.8865
611 NIZ 0.8863
612 CFI 0.8863
613 AJY 0.8862
614 DIU 0.8862
615 M5N 0.8861
616 AMH 0.8861
617 DIN 0.8860
618 BIK 0.8858
619 LL1 0.8857
620 GXY 0.8857
621 XQ0 0.8857
622 8NY 0.8856
623 Q88 0.8856
624 PYQ 0.8856
625 ISZ 0.8855
626 GTR 0.8855
627 6RQ 0.8854
628 AN3 0.8854
629 LFQ 0.8852
630 J9N 0.8851
631 67N 0.8851
632 3VW 0.8849
633 7VP 0.8848
634 CKU 0.8847
635 FBM 0.8846
636 HHS 0.8845
637 6QF 0.8845
638 G5V 0.8845
639 FDR 0.8845
640 PHU 0.8845
641 8VN 0.8845
642 EN1 0.8845
643 9BF 0.8844
644 1X7 0.8843
645 X6P 0.8842
646 JG8 0.8842
647 2K8 0.8842
648 37T 0.8842
649 46P 0.8841
650 TOF 0.8841
651 PIM 0.8840
652 BE2 0.8839
653 4BL 0.8838
654 SNU 0.8837
655 AHR 0.8836
656 DMD 0.8835
657 J5I 0.8835
658 CPZ 0.8835
659 3J8 0.8834
660 EKZ 0.8834
661 JP2 0.8834
662 DGL 0.8833
663 L22 0.8833
664 0P6 0.8832
665 Q71 0.8832
666 HJP 0.8832
667 HQ9 0.8831
668 SJ5 0.8831
669 ALL 0.8831
670 N3W 0.8831
671 F9P 0.8830
672 259 0.8829
673 SE2 0.8829
674 PPY 0.8828
675 290 0.8828
676 4XV 0.8828
677 IFP 0.8828
678 NDG 0.8825
679 14J 0.8824
680 MLT 0.8823
681 3Z8 0.8822
682 428 0.8822
683 4V2 0.8822
684 I7B 0.8821
685 PHB 0.8821
686 8CM 0.8820
687 A7W 0.8820
688 A13 0.8820
689 CFA 0.8819
690 SAL 0.8819
691 3IT 0.8819
692 0CU 0.8818
693 SD4 0.8817
694 SNO 0.8817
695 4FA 0.8817
696 261 0.8817
697 VFG 0.8816
698 DX4 0.8816
699 36M 0.8816
700 SMN 0.8816
701 F4E 0.8815
702 BNL 0.8813
703 PH2 0.8810
704 PQ0 0.8810
705 6M9 0.8810
706 2EC 0.8809
707 PAB 0.8809
708 3FH 0.8807
709 RKV 0.8806
710 KT7 0.8806
711 HX3 0.8804
712 MWP 0.8804
713 S76 0.8804
714 M4T 0.8802
715 8WQ 0.8801
716 EV0 0.8801
717 7B4 0.8801
718 KTA 0.8800
719 JRB 0.8800
720 R1P 0.8800
721 15E 0.8800
722 I7A 0.8799
723 WOO 0.8799
724 AVI 0.8799
725 1M2 0.8798
726 NLQ 0.8797
727 2D3 0.8797
728 CLZ 0.8797
729 REL 0.8796
730 49O 0.8796
731 E4P 0.8795
732 DGN 0.8795
733 3Z7 0.8795
734 5DL 0.8794
735 FWB 0.8792
736 MRW 0.8792
737 SN4 0.8792
738 JFJ 0.8792
739 FBU 0.8789
740 HJ7 0.8789
741 SVD 0.8788
742 APZ 0.8788
743 OAA 0.8788
744 4SV 0.8787
745 AEF 0.8786
746 TRP 0.8785
747 2FQ 0.8785
748 J6W 0.8784
749 CWM 0.8783
750 AN0 0.8781
751 JR2 0.8780
752 0RW 0.8779
753 HHH 0.8778
754 EDM 0.8777
755 54X 0.8777
756 FQI 0.8776
757 CFP 0.8776
758 0LO 0.8774
759 DK1 0.8774
760 4BY 0.8774
761 IWT 0.8773
762 7WG 0.8772
763 1LQ 0.8772
764 R9Y 0.8771
765 I2E 0.8771
766 7B3 0.8770
767 AIN 0.8770
768 4VY 0.8769
769 39O 0.8769
770 5FL 0.8768
771 RNO 0.8768
772 ZME 0.8767
773 TZF 0.8767
774 RMN 0.8767
775 ANC 0.8766
776 LMR 0.8766
777 K5W 0.8766
778 NPO 0.8766
779 PRF 0.8765
780 HHR 0.8763
781 TAG 0.8763
782 MJ2 0.8763
783 64C 0.8763
784 5WV 0.8763
785 HG3 0.8762
786 9RW 0.8761
787 8H8 0.8760
788 F69 0.8759
789 ZZ3 0.8758
790 BZQ 0.8757
791 NTZ 0.8756
792 JXW 0.8754
793 5LA 0.8753
794 R2P 0.8753
795 A5E 0.8751
796 ES0 0.8751
797 QWN 0.8751
798 1NP 0.8750
799 QIC 0.8749
800 23A 0.8749
801 SHG 0.8749
802 FDB 0.8748
803 TH7 0.8747
804 FHC 0.8746
805 PAC 0.8746
806 4MA 0.8746
807 APG 0.8744
808 F05 0.8744
809 UFV 0.8743
810 SG2 0.8743
811 4XS 0.8743
812 OQC 0.8740
813 GNM 0.8740
814 42J 0.8739
815 JKZ 0.8739
816 2D0 0.8739
817 R8Y 0.8738
818 R8V 0.8737
819 3XX 0.8736
820 I6G 0.8735
821 YRL 0.8735
822 KOJ 0.8735
823 5WX 0.8735
824 X0U 0.8734
825 GUA 0.8728
826 BCP 0.8727
827 AC6 0.8727
828 CTS 0.8727
829 DYA 0.8726
830 KKN 0.8725
831 226 0.8725
832 5VJ 0.8722
833 C2A 0.8721
834 P72 0.8720
835 HX4 0.8720
836 LKA 0.8720
837 1SQ 0.8719
838 R9S 0.8719
839 MAQ 0.8719
840 2FG 0.8718
841 MET 0.8718
842 PKU 0.8717
843 JBE 0.8717
844 DDU 0.8716
845 M2H 0.8715
846 TQU 0.8715
847 BPN 0.8715
848 PBZ 0.8714
849 P4B 0.8713
850 2JK 0.8713
851 2FT 0.8712
852 JBH 0.8712
853 ISN 0.8711
854 GIF 0.8711
855 N5J 0.8711
856 QXW 0.8709
857 4XR 0.8709
858 209 0.8709
859 B60 0.8708
860 657 0.8708
861 RBL 0.8708
862 ES6 0.8708
863 HBD 0.8708
864 BPY 0.8708
865 7CT 0.8708
866 1Y6 0.8708
867 HH5 0.8707
868 IOP 0.8706
869 B5D 0.8705
870 0FN 0.8704
871 PUE 0.8703
872 3HP 0.8702
873 3QV 0.8702
874 SEP 0.8702
875 2DR 0.8700
876 NLE 0.8698
877 XI7 0.8697
878 7W4 0.8696
879 FLV 0.8696
880 TZM 0.8695
881 AX3 0.8694
882 4VS 0.8694
883 826 0.8694
884 174 0.8693
885 TCA 0.8693
886 2LP 0.8692
887 NQM 0.8691
888 KTJ 0.8691
889 P3K 0.8690
890 B56 0.8690
891 1LM 0.8690
892 6OT 0.8689
893 I3E 0.8689
894 SF6 0.8689
895 OA3 0.8689
896 ES7 0.8689
897 TXW 0.8688
898 6M4 0.8687
899 68A 0.8686
900 3U4 0.8686
901 YTX 0.8685
902 EXR 0.8684
903 EVF 0.8684
904 X0W 0.8684
905 LYS 0.8684
906 4YS 0.8684
907 M1Z 0.8683
908 4NB 0.8682
909 36Y 0.8681
910 F81 0.8680
911 UNJ 0.8680
912 HNT 0.8679
913 OTR 0.8679
914 B2J 0.8677
915 5SG 0.8676
916 8MO 0.8676
917 UFO 0.8675
918 AGK 0.8674
919 PHE 0.8672
920 78Y 0.8672
921 7OD 0.8672
922 JPZ 0.8672
923 ZZA 0.8671
924 HH8 0.8671
925 5IQ 0.8671
926 47J 0.8671
927 5ZZ 0.8671
928 K34 0.8670
929 ADA 0.8669
930 GF4 0.8667
931 G12 0.8666
932 ROI 0.8666
933 ABV 0.8666
934 JKE 0.8666
935 J01 0.8665
936 JTH 0.8662
937 ES1 0.8662
938 PEZ 0.8662
939 5TY 0.8661
940 DPT 0.8661
941 AX7 0.8661
942 DTR 0.8660
943 3ZB 0.8660
944 KDO 0.8660
945 PZI 0.8660
946 2BX 0.8659
947 D3G 0.8658
948 PQZ 0.8656
949 4XH 0.8655
950 3PG 0.8655
951 HCI 0.8655
952 344 0.8654
953 JYB 0.8654
954 24W 0.8654
955 9EW 0.8652
956 Z82 0.8652
957 DX3 0.8651
958 5OF 0.8651
959 O72 0.8650
960 SWD 0.8649
961 KDF 0.8649
962 82I 0.8648
963 4LW 0.8648
964 SOE 0.8648
965 BP7 0.8646
966 2GQ 0.8646
967 5Q0 0.8646
968 HCA 0.8646
969 NGA 0.8645
970 K82 0.8645
971 XFE 0.8645
972 KJY 0.8645
973 FF2 0.8644
974 HLR 0.8643
975 OHP 0.8643
976 6XI 0.8643
977 HPA 0.8643
978 9KT 0.8640
979 PX7 0.8639
980 C5A 0.8637
981 NLG 0.8635
982 X48 0.8635
983 2MI 0.8635
984 GLA 0.8634
985 NSP 0.8631
986 LQ2 0.8631
987 39U 0.8629
988 SR4 0.8628
989 535 0.8628
990 TCR 0.8627
991 24B 0.8626
992 LI6 0.8626
993 G14 0.8625
994 FTV 0.8625
995 XBT 0.8625
996 149 0.8623
997 YIO 0.8622
998 XM0 0.8622
999 270 0.8616
1000 XXP 0.8612
1001 36E 0.8610
1002 E7S 0.8610
1003 JXN 0.8608
1004 MS0 0.8606
1005 57O 0.8606
1006 CK2 0.8605
1007 BA5 0.8605
1008 B57 0.8605
1009 N7I 0.8604
1010 1XA 0.8604
1011 SW7 0.8604
1012 HBA 0.8604
1013 GLY PRO 0.8603
1014 TPA 0.8599
1015 4SD 0.8599
1016 TYR 0.8598
1017 505 0.8597
1018 12M 0.8597
1019 MPK 0.8596
1020 495 0.8596
1021 X1R 0.8596
1022 HQY 0.8596
1023 MPV 0.8594
1024 12B 0.8592
1025 QWW 0.8592
1026 QBM 0.8591
1027 B53 0.8590
1028 7A3 0.8587
1029 Q7A 0.8587
1030 ADZ 0.8586
1031 DEE 0.8586
1032 0XT 0.8585
1033 TEP 0.8584
1034 KMY 0.8582
1035 1XN 0.8581
1036 ZBT 0.8578
1037 K48 0.8577
1038 PA5 0.8576
1039 4VP 0.8576
1040 2ED 0.8576
1041 49P 0.8575
1042 1GN 0.8575
1043 CFF 0.8574
1044 7WV 0.8573
1045 GM7 0.8571
1046 MT0 0.8559
1047 P92 0.8559
1048 492 0.8555
1049 DFB 0.8555
1050 1DV 0.8554
1051 ADE 0.8542
1052 8WZ 0.8540
1053 FCR 0.8531
1054 PEP 0.8528
1055 TSU 0.8528
1056 H33 0.8527
1057 FAN 0.8526
1058 FBV 0.8523
1059 PM6 0.8520
1060 6MP 0.8517
1061 8VE 0.8515
1062 20J 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IOG; Ligand: SDF; 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: 3iog.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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