Receptor
PDB id Resolution Class Description Source Keywords
3UCJ 1.85 Å EC: 4.2.1.1 COCCOMYXA BETA-CARBONIC ANHYDRASE IN COMPLEX WITH ACETAZOLAM COCCOMYXA SP. PA ALPHA/BETA STRAND EXCHANGE LYASE-LYASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF [BETA]-CARBONIC ANHYDRASE FRO GREEN ALGA COCCOMYXA: INHIBITOR COMPLEXES WITH ANIO ACETAZOLAMIDE. PLOS ONE V. 6 28458 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZM A:229;
B:229;
Valid;
Valid;
none;
none;
Ki = 1 uM
222.245 C4 H6 N4 O3 S2 CC(=O...
CL A:232;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:231;
B:230;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PO4 A:230;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
ZN A:228;
B:228;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UCJ 1.85 Å EC: 4.2.1.1 COCCOMYXA BETA-CARBONIC ANHYDRASE IN COMPLEX WITH ACETAZOLAM COCCOMYXA SP. PA ALPHA/BETA STRAND EXCHANGE LYASE-LYASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF [BETA]-CARBONIC ANHYDRASE FRO GREEN ALGA COCCOMYXA: INHIBITOR COMPLEXES WITH ANIO ACETAZOLAMIDE. PLOS ONE V. 6 28458 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3UCJ Ki = 1 uM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3UCJ Ki = 1 uM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6D2O Ki = 5 uM 4MZ C4 H6 N2 Cc1c[nH]cn....
2 6D2N Ki = 10 uM FUS H4 N2 O2 S NS(=O)(=O)....
3 3UCJ Ki = 1 uM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AZM; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 AZM 1 1
2 VGS 0.634146 0.935484
3 VFM 0.619048 0.966667
4 VFG 0.619048 0.920635
5 VFJ 0.577778 0.878788
6 VGV 0.490196 0.863636
7 ARZ 0.471698 0.850746
8 1GO 0.446429 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: AZM; Similar ligands found: 691
No: Ligand Similarity coefficient
1 S0E 0.9724
2 P9E 0.9723
3 EUE 0.9718
4 4CM 0.9689
5 MZM 0.9669
6 STX 0.9642
7 MAJ 0.9593
8 SKF 0.9562
9 3W8 0.9529
10 ATX 0.9500
11 AM4 0.9487
12 4NZ 0.9483
13 RYV 0.9465
14 AES 0.9448
15 4JE 0.9446
16 6KT 0.9442
17 DA4 0.9434
18 CSN 0.9414
19 SSC 0.9407
20 5GT 0.9390
21 4NP 0.9384
22 U7E 0.9380
23 2O8 0.9358
24 N4E 0.9351
25 2O6 0.9344
26 IOS 0.9344
27 SNO 0.9341
28 0F3 0.9336
29 PNP 0.9332
30 4MB 0.9325
31 QBP 0.9324
32 7O4 0.9322
33 4JC 0.9310
34 UA5 0.9309
35 657 0.9302
36 ZEC 0.9302
37 88L 0.9300
38 3VX 0.9294
39 RNO 0.9287
40 ZYX 0.9285
41 IAC 0.9277
42 DER 0.9271
43 5LD 0.9256
44 5DL 0.9256
45 3VS 0.9255
46 GGB 0.9254
47 RD4 0.9247
48 Z13 0.9245
49 GO2 0.9243
50 K4V 0.9241
51 A7H 0.9231
52 PDC 0.9231
53 HPO 0.9226
54 4I8 0.9225
55 2J3 0.9218
56 OW7 0.9214
57 N91 0.9214
58 A98 0.9214
59 4NS 0.9214
60 JB8 0.9213
61 JDN 0.9212
62 VM1 0.9211
63 M4S 0.9210
64 PRO GLY 0.9208
65 VD9 0.9207
66 4TU 0.9201
67 2FX 0.9199
68 PD2 0.9196
69 7MW 0.9194
70 VC3 0.9194
71 EN1 0.9191
72 FBF 0.9190
73 RKV 0.9189
74 EYV 0.9186
75 LEL 0.9185
76 3W3 0.9181
77 3W6 0.9181
78 0JD 0.9181
79 4NB 0.9180
80 BL0 0.9176
81 EVF 0.9174
82 A7N 0.9173
83 5RP 0.9153
84 IPE 0.9151
85 PUE 0.9147
86 9ZE 0.9147
87 1F1 0.9147
88 TSR 0.9146
89 7UC 0.9145
90 HSA 0.9145
91 6NT 0.9140
92 MB1 0.9140
93 9NB 0.9139
94 8G0 0.9137
95 DX5 0.9137
96 F02 0.9136
97 6NI 0.9131
98 JAW 0.9124
99 GWM 0.9123
100 LQ2 0.9123
101 8NB 0.9122
102 49P 0.9115
103 D1G 0.9111
104 15N 0.9107
105 EWG 0.9102
106 LUQ 0.9100
107 E1T 0.9099
108 CWJ 0.9099
109 G14 0.9098
110 5NI 0.9097
111 5F5 0.9097
112 R5P 0.9090
113 R52 0.9090
114 60L 0.9088
115 SLS 0.9087
116 94W 0.9086
117 3NY 0.9086
118 QIV 0.9084
119 RES 0.9084
120 ZZA 0.9081
121 QMS 0.9078
122 3VQ 0.9076
123 BGT 0.9076
124 TZP 0.9075
125 1L5 0.9074
126 R1P 0.9074
127 DEZ 0.9074
128 492 0.9073
129 0HO 0.9073
130 XCG 0.9072
131 MD6 0.9072
132 3A9 0.9071
133 A5Q 0.9071
134 PTB 0.9070
135 2ZM 0.9070
136 3MB 0.9067
137 OVM 0.9065
138 DVQ 0.9065
139 A5P 0.9061
140 OVP 0.9060
141 5LA 0.9058
142 0HN 0.9058
143 M5H 0.9055
144 N1E 0.9055
145 363 0.9054
146 36M 0.9053
147 EUH 0.9050
148 GCO 0.9050
149 92P 0.9048
150 2HU 0.9047
151 E4P 0.9047
152 6MW 0.9045
153 CIR 0.9044
154 GVA 0.9043
155 LR8 0.9042
156 4TP 0.9040
157 428 0.9040
158 IPR 0.9037
159 ODK 0.9037
160 HJ7 0.9036
161 M78 0.9033
162 N2M 0.9033
163 DZA 0.9032
164 KBZ 0.9030
165 RA7 0.9026
166 6ZX 0.9025
167 M5E 0.9024
168 OW4 0.9023
169 LGT 0.9021
170 TYR 0.9020
171 9R5 0.9020
172 5SP 0.9018
173 KPC 0.9018
174 ABI 0.9017
175 AMH 0.9016
176 HA5 0.9015
177 PFF 0.9014
178 FWB 0.9013
179 S7A 0.9011
180 BQ2 0.9009
181 MNP 0.9009
182 ILO 0.9008
183 ICO 0.9004
184 XI7 0.9004
185 C2Y 0.9004
186 5H6 0.9003
187 KLE 0.9002
188 4BY 0.8999
189 DMA 0.8999
190 DAR 0.8999
191 ARG 0.8999
192 2JJ 0.8996
193 MVH 0.8996
194 AGP 0.8994
195 MS0 0.8994
196 AHN 0.8992
197 5TZ 0.8992
198 BZJ 0.8990
199 7FU 0.8989
200 1FE 0.8988
201 3R4 0.8988
202 6C5 0.8986
203 PML 0.8984
204 PNZ 0.8984
205 Q06 0.8980
206 MKN 0.8978
207 6C9 0.8977
208 MLY 0.8977
209 27B 0.8973
210 XRX 0.8970
211 1X4 0.8969
212 OCA 0.8967
213 C26 0.8967
214 PA5 0.8966
215 1PS 0.8966
216 W81 0.8965
217 3ZB 0.8964
218 Y3L 0.8957
219 SRO 0.8957
220 ANN 0.8956
221 3XR 0.8956
222 JMG 0.8956
223 HG3 0.8956
224 TEG 0.8956
225 D2G 0.8956
226 F4K 0.8956
227 3AE 0.8955
228 2UZ 0.8954
229 5XC 0.8954
230 9FE 0.8951
231 JCZ 0.8951
232 AJ1 0.8950
233 5F8 0.8947
234 LR5 0.8946
235 2BX 0.8946
236 TMG 0.8946
237 2QC 0.8945
238 4BL 0.8945
239 D9Z 0.8943
240 TRP 0.8943
241 4BZ 0.8942
242 C82 0.8940
243 DXP 0.8938
244 NPI 0.8935
245 5OB 0.8935
246 I3E 0.8934
247 RGP 0.8934
248 EE8 0.8933
249 L1T 0.8932
250 M4E 0.8931
251 5RN 0.8931
252 N2I 0.8929
253 XEN 0.8929
254 PEY 0.8928
255 S7J 0.8927
256 9BF 0.8923
257 67X 0.8923
258 EZ1 0.8922
259 HNT 0.8922
260 549 0.8922
261 DNF 0.8920
262 795 0.8919
263 HC4 0.8917
264 NK5 0.8916
265 IOP 0.8916
266 6FG 0.8915
267 6C4 0.8915
268 3VW 0.8915
269 AVA 0.8914
270 KYA 0.8912
271 8V8 0.8910
272 EV2 0.8910
273 GJP 0.8908
274 TYL 0.8908
275 KDG 0.8907
276 5TO 0.8906
277 P93 0.8906
278 FCD 0.8904
279 5XB 0.8904
280 SEP 0.8903
281 DED 0.8903
282 DRG 0.8903
283 1HN 0.8903
284 5GV 0.8897
285 BSA 0.8896
286 BVA 0.8896
287 D3G 0.8895
288 4RU 0.8895
289 5DS 0.8892
290 A6W 0.8890
291 5O6 0.8889
292 M1T 0.8889
293 YIE 0.8889
294 ZYQ 0.8888
295 NPX 0.8888
296 JBZ 0.8887
297 UN1 0.8886
298 AKG 0.8886
299 LX1 0.8882
300 0NX 0.8882
301 ZHA 0.8881
302 8D6 0.8879
303 GZ2 0.8878
304 M2K 0.8878
305 3PG 0.8878
306 OGA 0.8877
307 DHY 0.8876
308 5WZ 0.8876
309 78Y 0.8873
310 L14 0.8872
311 LZ5 0.8870
312 GK8 0.8869
313 6C8 0.8868
314 DEW 0.8866
315 DAH 0.8863
316 HLP 0.8863
317 E5X 0.8863
318 P81 0.8862
319 TSU 0.8861
320 6HO 0.8860
321 YE6 0.8859
322 0LO 0.8859
323 I2E 0.8857
324 9UL 0.8857
325 8ZE 0.8856
326 27K 0.8856
327 TSS 0.8852
328 5OY 0.8852
329 SG2 0.8852
330 9FH 0.8850
331 KNA 0.8850
332 AAN 0.8849
333 BZ2 0.8847
334 8XL 0.8847
335 KDV 0.8846
336 QME 0.8846
337 YZM 0.8846
338 SG3 0.8844
339 12T 0.8844
340 X0U 0.8843
341 5FL 0.8843
342 SNU 0.8842
343 36E 0.8841
344 BZQ 0.8839
345 PSJ 0.8839
346 IQ5 0.8839
347 ENW 0.8838
348 PQZ 0.8838
349 4JK 0.8838
350 WT2 0.8838
351 80G 0.8834
352 30G 0.8834
353 F9Y 0.8833
354 BOQ 0.8833
355 J6W 0.8833
356 EXY 0.8832
357 J38 0.8831
358 EXD 0.8830
359 OA1 0.8830
360 ALE 0.8829
361 NPA 0.8829
362 MQB 0.8826
363 M4N 0.8826
364 UNJ 0.8826
365 PPY 0.8825
366 KMY 0.8823
367 PPT 0.8822
368 2D2 0.8821
369 CFA 0.8821
370 CPZ 0.8821
371 OQC 0.8819
372 BIK 0.8819
373 0L1 0.8818
374 64Z 0.8818
375 RYY 0.8817
376 3R6 0.8817
377 F4E 0.8817
378 IBP 0.8817
379 OOG 0.8817
380 BZ3 0.8815
381 9FL 0.8815
382 4FE 0.8814
383 HLD 0.8814
384 9CA 0.8814
385 6FB 0.8812
386 NLA 0.8811
387 H4E 0.8811
388 EQW 0.8811
389 0FK 0.8811
390 ESX 0.8809
391 CXH 0.8808
392 MSL 0.8808
393 TCA 0.8808
394 MS9 0.8807
395 YI6 0.8807
396 8CC 0.8806
397 NVU 0.8805
398 FTV 0.8804
399 1VK 0.8803
400 8U3 0.8803
401 NAG 0.8803
402 HAR 0.8802
403 NPS 0.8802
404 2HC 0.8801
405 KLS 0.8801
406 4FF 0.8801
407 MSR 0.8801
408 YPN 0.8800
409 PH3 0.8800
410 K82 0.8799
411 M6Z 0.8796
412 CS2 0.8796
413 0K7 0.8796
414 1IT 0.8794
415 ABF 0.8794
416 4TB 0.8793
417 8HC 0.8793
418 DG2 0.8792
419 Y4L 0.8790
420 CKA 0.8789
421 2K8 0.8788
422 LVD 0.8788
423 5TY 0.8788
424 Q02 0.8787
425 6SD 0.8786
426 463 0.8786
427 TCR 0.8786
428 5E5 0.8786
429 5NS 0.8782
430 LZ2 0.8782
431 0OL 0.8782
432 MR1 0.8782
433 GLO 0.8778
434 AMR 0.8777
435 S3P 0.8777
436 TFM 0.8776
437 0F9 0.8775
438 PLP 0.8775
439 AVO 0.8775
440 ONR 0.8774
441 V1T 0.8774
442 BPN 0.8772
443 WV7 0.8771
444 EZL 0.8770
445 LRW 0.8770
446 NF3 0.8770
447 E79 0.8769
448 4VY 0.8768
449 AMS 0.8766
450 ICB 0.8766
451 ARP 0.8766
452 LL1 0.8764
453 61M 0.8762
454 S8G 0.8761
455 HNE 0.8761
456 S2G 0.8760
457 9GB 0.8760
458 GVY 0.8759
459 TXW 0.8756
460 PFL 0.8756
461 GLY GLY GLY 0.8755
462 26P 0.8755
463 C53 0.8755
464 2KA 0.8754
465 FHC 0.8753
466 A5E 0.8752
467 4WL 0.8750
468 SOR 0.8750
469 PQT 0.8750
470 K48 0.8750
471 4NM 0.8750
472 A5H 0.8749
473 BIO 0.8749
474 K2T 0.8749
475 HBI 0.8748
476 H4B 0.8747
477 Q07 0.8746
478 IS2 0.8746
479 3QV 0.8745
480 2BG 0.8745
481 A9B 0.8745
482 TZF 0.8742
483 6FZ 0.8742
484 FBB 0.8742
485 7QD 0.8741
486 HQJ 0.8741
487 I7B 0.8740
488 ES2 0.8739
489 M28 0.8737
490 LFQ 0.8736
491 X6P 0.8735
492 PQK 0.8735
493 HIS 0.8733
494 6DP 0.8733
495 FUD 0.8732
496 G88 0.8731
497 D5X 0.8730
498 DI9 0.8730
499 DDU 0.8729
500 K97 0.8728
501 259 0.8727
502 LYS 0.8727
503 8WO 0.8726
504 DHC 0.8726
505 GLU 0.8725
506 NFZ 0.8725
507 4LW 0.8724
508 4FH 0.8723
509 BVS 0.8722
510 ONH 0.8721
511 3EB 0.8721
512 XRS 0.8719
513 8K2 0.8719
514 E3X 0.8718
515 VGD 0.8716
516 GO8 0.8715
517 HPP 0.8714
518 AHC 0.8713
519 EIP 0.8711
520 PMP 0.8711
521 I3A 0.8710
522 LLH 0.8710
523 HHS 0.8710
524 PTR 0.8710
525 0GZ 0.8709
526 535 0.8709
527 DNA 0.8708
528 PO6 0.8708
529 BP7 0.8708
530 CH9 0.8706
531 2FY 0.8706
532 4AU 0.8705
533 1A5 0.8704
534 2HG 0.8703
535 7MX 0.8700
536 FOM 0.8700
537 92G 0.8699
538 R20 0.8699
539 KJU 0.8698
540 SN4 0.8698
541 ESP 0.8695
542 6VD 0.8695
543 CLW 0.8694
544 GLN 0.8694
545 J9N 0.8694
546 ODO 0.8693
547 AN3 0.8693
548 36R 0.8692
549 X48 0.8691
550 APS 0.8691
551 ENO 0.8690
552 FBW 0.8690
553 36Y 0.8689
554 XIZ 0.8689
555 B1J 0.8688
556 E0O 0.8688
557 F31 0.8687
558 2GQ 0.8686
559 NGA 0.8685
560 1A7 0.8685
561 KBB 0.8685
562 S7S 0.8683
563 56D 0.8683
564 1P8 0.8683
565 HBO 0.8681
566 LO1 0.8680
567 4J8 0.8678
568 IL5 0.8678
569 0UL 0.8678
570 C1M 0.8676
571 PJW 0.8676
572 L03 0.8674
573 GPJ 0.8671
574 THA 0.8671
575 ENV 0.8671
576 8NX 0.8671
577 KYN 0.8668
578 RP3 0.8668
579 PGH 0.8666
580 7OD 0.8666
581 S62 0.8666
582 M45 0.8665
583 RSV 0.8664
584 VXX 0.8663
585 GRQ 0.8663
586 6L6 0.8662
587 P80 0.8660
588 1OT 0.8659
589 1EB 0.8659
590 FBS 0.8659
591 GOJ 0.8658
592 CXP 0.8658
593 KTW 0.8654
594 7VP 0.8654
595 6TZ 0.8653
596 G6Q 0.8652
597 K7H 0.8651
598 IWT 0.8651
599 DGN 0.8649
600 N8C 0.8649
601 DUR 0.8648
602 BHQ 0.8648
603 J1K 0.8645
604 5OO 0.8645
605 YZ9 0.8645
606 X0V 0.8645
607 1SA 0.8644
608 SD4 0.8643
609 ANF 0.8642
610 J9Q 0.8641
611 5WK 0.8637
612 97T 0.8634
613 ESI 0.8632
614 I7A 0.8631
615 LNR 0.8629
616 AJG 0.8628
617 5GU 0.8628
618 4SX 0.8628
619 FF2 0.8627
620 GF4 0.8627
621 MLZ 0.8626
622 FM4 0.8625
623 FHV 0.8624
624 3S5 0.8624
625 LDP 0.8623
626 ANC 0.8622
627 E7S 0.8621
628 DCZ 0.8621
629 2ED 0.8619
630 TZM 0.8619
631 EUG 0.8617
632 MQN 0.8616
633 LDC 0.8615
634 6QF 0.8611
635 JP2 0.8611
636 OTR 0.8611
637 2F6 0.8610
638 PIQ 0.8608
639 P7V 0.8608
640 5VL 0.8606
641 G3P 0.8605
642 4P5 0.8603
643 VNL 0.8602
644 L22 0.8601
645 R8Y 0.8597
646 6DH 0.8597
647 JA5 0.8595
648 4JQ 0.8594
649 NY4 0.8594
650 TT4 0.8593
651 SAN 0.8591
652 HHI 0.8590
653 KQY 0.8589
654 SWX 0.8588
655 ACA 0.8583
656 091 0.8580
657 0TU 0.8579
658 INE 0.8579
659 OTD 0.8577
660 HPL 0.8575
661 TGX 0.8572
662 15E 0.8567
663 7MU 0.8566
664 NDG 0.8565
665 GPF 0.8563
666 1XS 0.8563
667 3PO 0.8563
668 SZ7 0.8563
669 URC 0.8562
670 PZM 0.8560
671 EKZ 0.8557
672 AG2 0.8554
673 XCZ 0.8550
674 4HB 0.8548
675 THM 0.8548
676 JF1 0.8545
677 DHR 0.8544
678 KMH 0.8543
679 R9Y 0.8542
680 54E 0.8542
681 4YO 0.8538
682 68B 0.8536
683 PBA 0.8534
684 4KL 0.8534
685 13P 0.8531
686 1M2 0.8530
687 HX4 0.8529
688 CIY 0.8523
689 4HM 0.8514
690 L5V 0.8513
691 N7I 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UCJ; Ligand: AZM; 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: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3UCJ; Ligand: AZM; 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: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3UCJ; Ligand: AZM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3UCJ; Ligand: AZM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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