Receptor
PDB id Resolution Class Description Source Keywords
4RMN 1.72 Å EC: 6.-.-.- CRYSTAL STRUCTURE OF A BENZOATE COENZYME A LIGASE WITH 2-THI CARBOXYLIC ACID RHODOPSEUDOMONAS PALUSTRIS SUBSTRATE SPECIFICITY KINETICS LIGASE
Ref.: KINETICALLY AND CRYSTALLOGRAPHICALLY GUIDED MUTATIO BENZOATE COA LIGASE (BADA) ELUCIDATE MECHANISM AND SUBSTRATE PERMISSIVITY. BIOCHEMISTRY V. 54 6230 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:1002;
B:1003;
B:1006;
B:1005;
A:1002;
B:1007;
B:1004;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
C21 A:1000;
A:1001;
B:1000;
B:1001;
 Valid;
Valid;
Valid;
Valid;
 none;
Atoms found MORE than expected: % Diff = 2;
none;
Atoms found MORE than expected: % Diff = 2;
 submit data
128.149 C5 H4 O2 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RLQ 1.63 Å EC: 6.-.-.- CRYSTAL STRUCTURE OF A BENZOATE COENZYME A LIGASE WITH O-TOL RHODOPSEUDOMONAS PALUSTRIS SUBSTRATE SPECIFICITY KINETICS LIGASE
Ref.: KINETICALLY AND CRYSTALLOGRAPHICALLY GUIDED MUTATIO BENZOATE COA LIGASE (BADA) ELUCIDATE MECHANISM AND SUBSTRATE PERMISSIVITY. BIOCHEMISTRY V. 54 6230 2015
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4RLQ - 3SK C8 H8 O2 Cc1ccccc1C....
2 4RM2 - 3U4 C7 H5 F O2 c1ccc(c(c1....
3 4RMN - C21 C5 H4 O2 S c1cc(sc1)C....
4 4RM3 - FOA C5 H4 O3 c1cc(oc1)C....
5 4RLF - 4MA C8 H8 O2 Cc1ccc(cc1....
6 4ZJZ - OOB C17 H18 N5 O8 P c1ccc(cc1)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4RLQ - 3SK C8 H8 O2 Cc1ccccc1C....
2 4RM2 - 3U4 C7 H5 F O2 c1ccc(c(c1....
3 4RMN - C21 C5 H4 O2 S c1cc(sc1)C....
4 4RM3 - FOA C5 H4 O3 c1cc(oc1)C....
5 4RLF - 4MA C8 H8 O2 Cc1ccc(cc1....
6 4ZJZ - OOB C17 H18 N5 O8 P c1ccc(cc1)....
7 2V7B - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4RLQ - 3SK C8 H8 O2 Cc1ccccc1C....
2 4RM2 - 3U4 C7 H5 F O2 c1ccc(c(c1....
3 4RMN - C21 C5 H4 O2 S c1cc(sc1)C....
4 4RM3 - FOA C5 H4 O3 c1cc(oc1)C....
5 4RLF - 4MA C8 H8 O2 Cc1ccc(cc1....
6 4ZJZ - OOB C17 H18 N5 O8 P c1ccc(cc1)....
7 2V7B - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C21; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 C21 1 1
2 54D 0.484848 0.777778
3 4Z0 0.409091 0.652174
4 SPA 0.4 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: C21; Similar ligands found: 866
No: Ligand Similarity coefficient
1 265 1.0000
2 HX2 1.0000
3 2PC 1.0000
4 FOA 1.0000
5 SMV 1.0000
6 PRO 1.0000
7 TP5 1.0000
8 BEZ 0.9985
9 JBN 0.9983
10 273 0.9977
11 6PC 0.9964
12 BEN 0.9951
13 NCA 0.9943
14 PYC 0.9943
15 BAM 0.9940
16 YCP 0.9926
17 TZC 0.9924
18 NTN 0.9894
19 PBC 0.9876
20 NIO 0.9872
21 UNU 0.9848
22 BE7 0.9843
23 SS1 0.9843
24 PZA 0.9831
25 NBZ 0.9820
26 AC0 0.9813
27 VGL 0.9811
28 JAB 0.9810
29 M58 0.9739
30 IT2 0.9730
31 BNS 0.9715
32 QSC 0.9700
33 MLT 0.9686
34 JZ5 0.9685
35 OXQ 0.9675
36 DEN 0.9672
37 TFB 0.9672
38 OAA 0.9659
39 J1Z 0.9633
40 GAG 0.9627
41 5AC 0.9626
42 60P 0.9622
43 1DU 0.9604
44 282 0.9598
45 IND 0.9597
46 MLA 0.9594
47 PRS 0.9592
48 FQI 0.9583
49 GBD 0.9577
50 MZ0 0.9572
51 IDM 0.9571
52 LZ1 0.9570
53 DPR 0.9569
54 BZI 0.9567
55 PYF 0.9567
56 MPI 0.9565
57 UGC 0.9565
58 0R1 0.9560
59 FPI 0.9560
60 HBX 0.9559
61 DMG 0.9557
62 KIV 0.9557
63 HY3 0.9555
64 ABN 0.9554
65 MLI 0.9552
66 BZF 0.9551
67 1PT 0.9543
68 GVH 0.9541
69 HYP 0.9538
70 SS2 0.9537
71 0CT 0.9529
72 AMC 0.9525
73 PY7 0.9519
74 SYN 0.9509
75 OK7 0.9507
76 JZ7 0.9501
77 FAN 0.9498
78 ASP 0.9498
79 RSO 0.9494
80 T2C 0.9486
81 MAK 0.9485
82 NPO 0.9483
83 FUM 0.9481
84 14J 0.9479
85 DYA 0.9479
86 SAL 0.9478
87 NBE 0.9476
88 ZBT 0.9473
89 1DQ 0.9471
90 C5J 0.9471
91 BHO 0.9469
92 KG7 0.9454
93 UY7 0.9453
94 RSF 0.9449
95 4JP 0.9447
96 PHB 0.9447
97 BE2 0.9441
98 MAE 0.9439
99 SIN 0.9435
100 CFI 0.9433
101 8GC 0.9431
102 ISZ 0.9428
103 HSM 0.9411
104 Z82 0.9407
105 P2D 0.9405
106 2KT 0.9403
107 NMJ 0.9399
108 1MR 0.9399
109 XBT 0.9397
110 NVI 0.9395
111 LMR 0.9395
112 HVQ 0.9393
113 UYA 0.9393
114 3PY 0.9392
115 JZ9 0.9390
116 7WV 0.9388
117 HSE 0.9385
118 FEH 0.9382
119 TZL 0.9382
120 1Y6 0.9382
121 AAE 0.9380
122 PAB 0.9380
123 JKE 0.9379
124 1WD 0.9377
125 P72 0.9377
126 PCA 0.9376
127 ES6 0.9376
128 4CS 0.9375
129 3HL 0.9374
130 HZP 0.9373
131 JBE 0.9373
132 4MA 0.9371
133 6M9 0.9370
134 4SV 0.9366
135 SW7 0.9364
136 BVG 0.9364
137 HBD 0.9362
138 826 0.9362
139 BVC 0.9360
140 PBZ 0.9359
141 3U4 0.9357
142 QUZ 0.9346
143 FB2 0.9344
144 F05 0.9343
145 NPY 0.9342
146 MLM 0.9341
147 174 0.9340
148 VAL 0.9338
149 3AB 0.9332
150 3HB 0.9329
151 CYS 0.9322
152 GAB 0.9321
153 0RW 0.9319
154 4JU 0.9319
155 THR 0.9317
156 2MH 0.9315
157 14O 0.9311
158 TPA 0.9311
159 SER 0.9308
160 BRT 0.9307
161 JAE 0.9307
162 3NT 0.9305
163 HLR 0.9301
164 MRZ 0.9299
165 5HN 0.9299
166 WCE 0.9299
167 HIU 0.9297
168 5H1 0.9295
169 NIZ 0.9288
170 OVV 0.9287
171 DTL 0.9286
172 53C 0.9285
173 XM0 0.9285
174 F60 0.9283
175 FBJ 0.9282
176 2K4 0.9281
177 6M4 0.9277
178 PRI 0.9275
179 5MI 0.9275
180 9EW 0.9273
181 I1E 0.9272
182 PMB 0.9272
183 69O 0.9269
184 3HR 0.9269
185 SVN 0.9265
186 3BZ 0.9262
187 5MB 0.9261
188 M6W 0.9259
189 3ZQ 0.9258
190 F9P 0.9256
191 ABV 0.9255
192 HCS 0.9253
193 BZX 0.9251
194 APY 0.9246
195 TH0 0.9238
196 FBM 0.9236
197 6AI 0.9235
198 ALO 0.9233
199 IVA 0.9231
200 K34 0.9230
201 AX7 0.9228
202 270 0.9228
203 MZW 0.9227
204 9CL 0.9227
205 HIO 0.9226
206 2CK 0.9220
207 0TR 0.9218
208 HBA 0.9217
209 DGY 0.9216
210 23W 0.9209
211 DSN 0.9203
212 3SK 0.9201
213 PYJ 0.9201
214 PLQ 0.9201
215 AHR 0.9199
216 IPU 0.9199
217 2MI 0.9199
218 ES9 0.9197
219 11S 0.9194
220 AC6 0.9193
221 1DV 0.9190
222 MRY 0.9188
223 COI 0.9179
224 MCT 0.9178
225 NK 0.9177
226 THE 0.9173
227 2EZ 0.9172
228 GUA 0.9172
229 PEA 0.9170
230 H4N 0.9170
231 FK1 0.9169
232 TZE 0.9168
233 TEO 0.9167
234 3OC 0.9166
235 CYH 0.9164
236 MNN 0.9159
237 1DJ 0.9156
238 HQE 0.9153
239 BP9 0.9152
240 OHG 0.9152
241 CXF 0.9152
242 FPN 0.9150
243 284 0.9146
244 ABU 0.9146
245 SSN 0.9146
246 CAQ 0.9143
247 IHG 0.9141
248 ASN 0.9140
249 P92 0.9139
250 CXL 0.9137
251 280 0.9134
252 AC5 0.9134
253 40O 0.9133
254 M4T 0.9132
255 NXA 0.9130
256 WOT 0.9130
257 8NY 0.9129
258 URF 0.9128
259 MWM 0.9128
260 PHU 0.9126
261 7WG 0.9125
262 7CZ 0.9124
263 5MH 0.9124
264 ABA 0.9123
265 DA1 0.9123
266 URA 0.9122
267 OXE 0.9122
268 3CH 0.9122
269 PEP 0.9121
270 RCO 0.9121
271 4ZE 0.9120
272 4HO 0.9120
273 2RH 0.9117
274 MPD 0.9117
275 LG4 0.9110
276 URP 0.9109
277 1MC 0.9108
278 TDR 0.9106
279 24T 0.9106
280 9X7 0.9105
281 DXX 0.9104
282 PCR 0.9103
283 XYP 0.9101
284 HAI 0.9101
285 B24 0.9101
286 FW5 0.9100
287 KYD 0.9097
288 LER 0.9096
289 BEW 0.9096
290 2CQ 0.9095
291 V1L 0.9094
292 FPY 0.9094
293 ADE 0.9094
294 10L 0.9090
295 ILE 0.9089
296 LXC 0.9089
297 CRS 0.9088
298 VNJ 0.9088
299 PKU 0.9088
300 NMG 0.9087
301 S0H 0.9086
302 GOL 0.9085
303 1WG 0.9084
304 PZI 0.9083
305 DCL 0.9082
306 CYT 0.9081
307 98J 0.9080
308 LG3 0.9080
309 HPA 0.9079
310 ECE 0.9077
311 DAB 0.9077
312 1DW 0.9075
313 IQ0 0.9074
314 6MP 0.9074
315 2IM 0.9073
316 4VP 0.9072
317 PXY 0.9071
318 XBZ 0.9071
319 9YL 0.9071
320 IPH 0.9069
321 25R 0.9067
322 2MP 0.9065
323 LEU 0.9064
324 2YU 0.9064
325 SRT 0.9064
326 DE5 0.9063
327 34A 0.9062
328 5JC 0.9062
329 FLA 0.9062
330 3SL 0.9061
331 WBU 0.9060
332 150 0.9059
333 HY1 0.9059
334 A2Q 0.9058
335 40E 0.9057
336 3ID 0.9057
337 5UC 0.9057
338 CEJ 0.9055
339 1SA 0.9052
340 PAE 0.9051
341 ES4 0.9051
342 GXE 0.9049
343 275 0.9049
344 PAC 0.9047
345 26D 0.9046
346 PEL 0.9043
347 2AC 0.9042
348 CP 0.9042
349 KKN 0.9041
350 XYD 0.9038
351 4MV 0.9038
352 SAT 0.9037
353 MBN 0.9037
354 7WA 0.9034
355 ICP 0.9034
356 PYD 0.9034
357 25T 0.9034
358 XRG 0.9033
359 HT4 0.9032
360 MXN 0.9031
361 9DA 0.9031
362 BXO 0.9031
363 DUC 0.9029
364 TH7 0.9028
365 5WV 0.9028
366 1P3 0.9028
367 LEA 0.9026
368 DMD 0.9025
369 3AP 0.9022
370 H95 0.9020
371 GLU 0.9019
372 LG5 0.9019
373 RHU 0.9019
374 271 0.9017
375 3HA 0.9017
376 2CH 0.9017
377 JZ3 0.9015
378 HYN 0.9015
379 CSS 0.9013
380 L3Q 0.9010
381 4AP 0.9006
382 2AP 0.9005
383 R8A 0.9005
384 R2B 0.9003
385 R1X 0.9003
386 PM6 0.9002
387 4CH 0.9002
388 GJZ 0.9001
389 BP1 0.9001
390 XQ0 0.8999
391 MZG 0.8999
392 TM7 0.8998
393 51F 0.8996
394 7HP 0.8996
395 HRZ 0.8994
396 43M 0.8989
397 GYE 0.8988
398 HVK 0.8987
399 3M0 0.8986
400 8CL 0.8986
401 9HX 0.8985
402 1AB 0.8983
403 OXL 0.8983
404 HDA 0.8982
405 BML 0.8981
406 EDG 0.8980
407 4JJ 0.8978
408 P9P 0.8976
409 LDU 0.8975
410 ICF 0.8972
411 BVF 0.8972
412 4CL 0.8971
413 278 0.8971
414 TB6 0.8969
415 COU 0.8969
416 JZ2 0.8967
417 C2N 0.8966
418 4NC 0.8966
419 FA0 0.8966
420 TMZ 0.8966
421 1P7 0.8965
422 8K2 0.8965
423 QY9 0.8965
424 DBH 0.8964
425 RMN 0.8964
426 3F0 0.8963
427 L89 0.8963
428 2AQ 0.8962
429 RB5 0.8962
430 XYL 0.8962
431 9PO 0.8961
432 7VD 0.8961
433 4HS 0.8960
434 ISN 0.8959
435 XX2 0.8958
436 DHB 0.8957
437 FCR 0.8957
438 PGA 0.8957
439 PEQ 0.8957
440 TLA 0.8956
441 3HM 0.8953
442 PBE 0.8951
443 AL0 0.8951
444 ES7 0.8951
445 CEE 0.8949
446 H42 0.8948
447 03V 0.8946
448 E60 0.8946
449 DCY 0.8945
450 HSO 0.8945
451 FBV 0.8945
452 IMR 0.8943
453 45C 0.8942
454 A1U 0.8942
455 JBK 0.8941
456 OPE 0.8940
457 ES5 0.8939
458 HE2 0.8938
459 MEU 0.8936
460 FHB 0.8933
461 LGA 0.8933
462 LLQ 0.8932
463 ITN 0.8931
464 1DH 0.8931
465 JLZ 0.8930
466 4FS 0.8930
467 OCH 0.8930
468 4JL 0.8929
469 M1A 0.8929
470 QWN 0.8926
471 JZ0 0.8925
472 PG3 0.8924
473 AAS 0.8924
474 2AF 0.8923
475 717 0.8923
476 MWJ 0.8922
477 7W4 0.8922
478 4A3 0.8921
479 FBA 0.8920
480 RBL 0.8919
481 MYJ 0.8919
482 IDH 0.8919
483 67N 0.8918
484 JB5 0.8918
485 2HO 0.8918
486 H8N 0.8917
487 QOS 0.8917
488 173 0.8916
489 5B1 0.8916
490 IUR 0.8916
491 NNO 0.8916
492 SHA 0.8915
493 3OH 0.8915
494 SAR 0.8914
495 1AN 0.8914
496 F4Z 0.8914
497 J9T 0.8913
498 TSU 0.8913
499 TLD 0.8913
500 FB1 0.8913
501 BAL 0.8910
502 8OZ 0.8909
503 SGL 0.8909
504 DAS 0.8909
505 51R 0.8908
506 PUT 0.8908
507 SWD 0.8907
508 4JM 0.8906
509 4JN 0.8905
510 HPY 0.8903
511 HMH 0.8903
512 DOB 0.8903
513 MSF 0.8902
514 SPV 0.8901
515 93K 0.8901
516 ODV 0.8900
517 BHA 0.8900
518 1SQ 0.8898
519 A09 0.8898
520 CIZ 0.8898
521 4M0 0.8897
522 TC7 0.8897
523 93B 0.8896
524 7N0 0.8895
525 286 0.8894
526 1LQ 0.8894
527 4XX 0.8894
528 CRN 0.8892
529 4XH 0.8892
530 RIB 0.8891
531 5IQ 0.8891
532 HHN 0.8891
533 5SG 0.8890
534 ES1 0.8890
535 N5J 0.8890
536 5RG 0.8888
537 BTE 0.8887
538 PAF 0.8887
539 SAN 0.8886
540 93Q 0.8886
541 XUL 0.8886
542 ADZ 0.8883
543 EQT 0.8883
544 5Q0 0.8883
545 HHA 0.8882
546 TTO 0.8881
547 4JO 0.8879
548 4XR 0.8878
549 EGD 0.8878
550 8GF 0.8878
551 IZC 0.8878
552 INO 0.8877
553 HTS 0.8876
554 8LG 0.8876
555 QSB 0.8875
556 TIU 0.8875
557 7EX 0.8874
558 0R0 0.8874
559 GLY GLY 0.8872
560 2HA 0.8871
561 TAR 0.8871
562 XLS 0.8870
563 5CU 0.8870
564 7B4 0.8870
565 9TW 0.8869
566 HIS 0.8867
567 4YS 0.8865
568 C2B 0.8865
569 GOJ 0.8864
570 HH8 0.8864
571 27Y 0.8863
572 QXW 0.8863
573 5NU 0.8862
574 O72 0.8862
575 1NP 0.8861
576 BR9 0.8861
577 CHB 0.8861
578 ICC 0.8861
579 HQY 0.8860
580 9TY 0.8860
581 YAN 0.8860
582 HGQ 0.8860
583 L60 0.8859
584 BUQ 0.8858
585 JBH 0.8857
586 GG6 0.8856
587 AKB 0.8856
588 BUA 0.8856
589 24W 0.8855
590 AKG 0.8855
591 XYS 0.8852
592 FP2 0.8852
593 G3P 0.8851
594 2DR 0.8851
595 JPZ 0.8849
596 2AS 0.8849
597 7MU 0.8848
598 XCZ 0.8848
599 DQY 0.8845
600 IOM 0.8844
601 HDH 0.8843
602 OXD 0.8843
603 4P5 0.8842
604 FYU 0.8842
605 PCT 0.8841
606 BMD 0.8841
607 92Z 0.8841
608 TMT 0.8841
609 GRE 0.8839
610 ET2 0.8836
611 938 0.8835
612 IHB 0.8833
613 FBS 0.8833
614 URQ 0.8830
615 6X8 0.8830
616 6CS 0.8829
617 M3T 0.8829
618 FBW 0.8829
619 DBB 0.8828
620 9TZ 0.8828
621 13P 0.8828
622 KOJ 0.8826
623 0V5 0.8825
624 H3M 0.8825
625 2ZV 0.8824
626 XIX 0.8821
627 ITU 0.8821
628 DX4 0.8820
629 PYR 0.8819
630 FCN 0.8816
631 23A 0.8816
632 FP1 0.8814
633 1LM 0.8814
634 PYG 0.8813
635 MTG 0.8813
636 1SP 0.8811
637 2RA 0.8811
638 GTQ 0.8811
639 PPR 0.8809
640 Y8I 0.8809
641 HH5 0.8808
642 Q88 0.8808
643 76X 0.8808
644 1AC 0.8807
645 HEW 0.8806
646 4H2 0.8805
647 ISU 0.8804
648 6M1 0.8803
649 6F0 0.8802
650 DTU 0.8801
651 HGW 0.8800
652 9DG 0.8799
653 SX1 0.8798
654 MMU 0.8798
655 1P8 0.8796
656 4J8 0.8796
657 4SD 0.8796
658 ES2 0.8795
659 36R 0.8794
660 CFP 0.8793
661 54G 0.8793
662 VGD 0.8793
663 CLW 0.8792
664 3PF 0.8792
665 IOL 0.8790
666 JA8 0.8789
667 PIH 0.8789
668 9RW 0.8788
669 5OB 0.8788
670 SMN 0.8787
671 B3R 0.8785
672 FUL 0.8784
673 AZA 0.8784
674 2CO 0.8782
675 A8C 0.8782
676 SC2 0.8781
677 GUN 0.8779
678 5M0 0.8778
679 FBB 0.8777
680 PAH 0.8775
681 CIG 0.8775
682 K2T 0.8774
683 IGA 0.8773
684 PE9 0.8772
685 4JT 0.8771
686 DHR 0.8770
687 8H8 0.8770
688 CMS 0.8769
689 2D0 0.8763
690 GZ3 0.8761
691 ATQ 0.8760
692 3XX 0.8760
693 ETX 0.8760
694 AW5 0.8758
695 ES0 0.8757
696 MBD 0.8754
697 3MC 0.8753
698 A2F 0.8752
699 5MK 0.8750
700 AHB 0.8748
701 5VM 0.8748
702 OXC 0.8747
703 RIP 0.8743
704 C2A 0.8742
705 ORO 0.8742
706 CWM 0.8741
707 069 0.8740
708 XAN 0.8739
709 DFU 0.8739
710 6AP 0.8735
711 BUB 0.8735
712 X1S 0.8733
713 45L 0.8733
714 RM1 0.8733
715 285 0.8733
716 0MK 0.8732
717 261 0.8731
718 3MT 0.8730
719 4NM 0.8729
720 4ZC 0.8728
721 FUC 0.8727
722 SD4 0.8725
723 BZ3 0.8725
724 HX3 0.8725
725 CHT 0.8724
726 290 0.8720
727 I3A 0.8720
728 SLP 0.8720
729 OTR 0.8719
730 9X6 0.8718
731 4ZA 0.8715
732 PPV 0.8714
733 5QY 0.8713
734 141 0.8710
735 PIM 0.8710
736 RNS 0.8709
737 AZG 0.8707
738 4FA 0.8704
739 GP9 0.8704
740 BAE 0.8704
741 BCP 0.8703
742 DS0 0.8701
743 ARB 0.8695
744 PIS 0.8694
745 HV2 0.8693
746 259 0.8691
747 E5X 0.8689
748 AEF 0.8688
749 1GP 0.8686
750 0CU 0.8686
751 PYM 0.8686
752 BAQ 0.8685
753 HHQ 0.8683
754 JZ1 0.8681
755 2AL 0.8681
756 OXZ 0.8680
757 GMN 0.8680
758 1CB 0.8679
759 A3B 0.8677
760 YHO 0.8674
761 7HQ 0.8673
762 3FA 0.8672
763 A20 0.8670
764 FLM 0.8670
765 PIY 0.8668
766 4WL 0.8668
767 AML 0.8667
768 64K 0.8667
769 3GR 0.8666
770 3PP 0.8665
771 G3E 0.8664
772 1XN 0.8663
773 GLL 0.8662
774 D48 0.8661
775 4MZ 0.8658
776 OVP 0.8658
777 5KX 0.8658
778 BYZ 0.8657
779 FJO 0.8656
780 24B 0.8655
781 3DO 0.8654
782 FCA 0.8653
783 3FH 0.8650
784 1SH 0.8648
785 6GU 0.8648
786 192 0.8647
787 JZ6 0.8646
788 1LN 0.8646
789 YH7 0.8645
790 J5I 0.8645
791 IP0 0.8645
792 2MZ 0.8644
793 OXM 0.8642
794 BOA 0.8642
795 FFP 0.8642
796 2C9 0.8642
797 AGK 0.8636
798 SYV 0.8636
799 R8S 0.8636
800 SE2 0.8635
801 3SS 0.8634
802 5MP 0.8633
803 AMT 0.8632
804 NEQ 0.8628
805 47J 0.8628
806 JYD 0.8628
807 ABE 0.8627
808 G2H 0.8627
809 1XM 0.8623
810 DFB 0.8622
811 ACH 0.8618
812 PNZ 0.8618
813 IFP 0.8616
814 LT2 0.8614
815 3MH 0.8613
816 URS 0.8610
817 YRL 0.8610
818 IFM 0.8608
819 GIF 0.8608
820 PYZ 0.8607
821 42A 0.8607
822 3CE 0.8603
823 8X3 0.8603
824 97T 0.8601
825 NSP 0.8601
826 EKZ 0.8600
827 EA1 0.8600
828 MR1 0.8599
829 2MY 0.8598
830 ES3 0.8598
831 ANN 0.8593
832 XIY 0.8593
833 P3K 0.8590
834 0P6 0.8589
835 1MZ 0.8584
836 ZZT 0.8584
837 F5B 0.8581
838 GBL 0.8580
839 SEP 0.8578
840 2CM 0.8577
841 AZF 0.8576
842 POP 0.8571
843 I4B 0.8569
844 3TR 0.8568
845 HMU 0.8568
846 2HQ 0.8567
847 RNT 0.8567
848 1M2 0.8562
849 LZM 0.8561
850 0OC 0.8558
851 5QX 0.8554
852 6MH 0.8554
853 OVM 0.8553
854 2PG 0.8550
855 86J 0.8549
856 7W1 0.8547
857 KUF 0.8545
858 MB3 0.8542
859 HQT 0.8542
860 DUB 0.8540
861 IPB 0.8540
862 HOW 0.8540
863 K5W 0.8538
864 TM4 0.8533
865 SVD 0.8532
866 32X 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RLQ; Ligand: 3SK; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4rlq.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 5OE4 3UK 49.14
Pocket No.: 2; Query (leader) PDB : 4RLQ; Ligand: 3SK; 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: 4rlq.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback