Receptor
PDB id Resolution Class Description Source Keywords
3VP6 2.1 Å EC: 4.1.1.15 STRUCTURAL CHARACTERIZATION OF GLUTAMIC ACID DECARBOXYLASE; INTO THE MECHANISM OF AUTOINACTIVATION HOMO SAPIENS CATALYTIC LOOP SWAP LYASE
Ref.: STRUCTURAL CHARACTERIZATION OF THE MECHANISM THROUG HUMAN GLUTAMIC ACID DECARBOXYLASE AUTO-ACTIVATES BIOSCI.REP. V. 33 137 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HLD B:1001;
A:1001;
Valid;
Valid;
none;
none;
submit data
184.103 C7 H4 O6 C1=C(...
GOL B:1002;
B:1003;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VP6 2.1 Å EC: 4.1.1.15 STRUCTURAL CHARACTERIZATION OF GLUTAMIC ACID DECARBOXYLASE; INTO THE MECHANISM OF AUTOINACTIVATION HOMO SAPIENS CATALYTIC LOOP SWAP LYASE
Ref.: STRUCTURAL CHARACTERIZATION OF THE MECHANISM THROUG HUMAN GLUTAMIC ACID DECARBOXYLASE AUTO-ACTIVATES BIOSCI.REP. V. 33 137 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3VP6 - HLD C7 H4 O6 C1=C(OC(=C....
2 2OKJ - ABU PLZ n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2OKK - ABU C4 H9 N O2 C(CC(=O)O)....
2 3VP6 - HLD C7 H4 O6 C1=C(OC(=C....
3 2OKJ - ABU PLZ n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2OKK - ABU C4 H9 N O2 C(CC(=O)O)....
2 3VP6 - HLD C7 H4 O6 C1=C(OC(=C....
3 2OKJ - ABU PLZ n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HLD; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HLD 1 1
2 0GZ 0.405405 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: HLD; Similar ligands found: 678
No: Ligand Similarity coefficient
1 PDC 0.9823
2 DNC 0.9776
3 OTD 0.9693
4 PD2 0.9662
5 8G0 0.9645
6 QPR 0.9614
7 5WY 0.9551
8 II6 0.9541
9 RD4 0.9521
10 F12 0.9521
11 KYA 0.9513
12 NID 0.9511
13 GV9 0.9508
14 OW7 0.9500
15 DNF 0.9499
16 CCB 0.9492
17 3MB 0.9450
18 OVM 0.9432
19 2ZQ 0.9419
20 EDM 0.9410
21 7ZE 0.9407
22 INE 0.9391
23 7WR 0.9370
24 LDR 0.9368
25 AW5 0.9364
26 4KL 0.9358
27 FBG 0.9357
28 Q6T 0.9355
29 ZZ8 0.9354
30 ICO 0.9351
31 7NI 0.9350
32 D07 0.9349
33 9AP 0.9343
34 JKZ 0.9339
35 UAN 0.9328
36 KIB 0.9320
37 AKH 0.9319
38 ORO 0.9315
39 OXC 0.9307
40 BK9 0.9307
41 OW4 0.9300
42 M2K 0.9298
43 3MG 0.9294
44 7I2 0.9293
45 7FF 0.9283
46 M1H 0.9276
47 5RN 0.9273
48 4ME 0.9270
49 42C 0.9267
50 M0Q 0.9263
51 O2A 0.9257
52 7VS 0.9251
53 FE DB1 0.9251
54 Z5P 0.9247
55 6BL 0.9246
56 M0W 0.9245
57 PEY 0.9244
58 DBJ 0.9244
59 C2Y 0.9242
60 X8D 0.9236
61 OVP 0.9234
62 TNF 0.9231
63 0GY 0.9231
64 RXA 0.9230
65 1AL 0.9230
66 MHK 0.9228
67 HNQ 0.9226
68 NCD 0.9223
69 AIN 0.9222
70 JR2 0.9219
71 34D 0.9218
72 M1E 0.9216
73 FOT 0.9213
74 6VD 0.9210
75 DOR 0.9210
76 92P 0.9201
77 URC 0.9201
78 AJ2 0.9198
79 VK3 0.9194
80 M5K 0.9193
81 AQO 0.9193
82 4TU 0.9191
83 D1X 0.9190
84 LEL 0.9187
85 CKA 0.9186
86 1X7 0.9183
87 C2U 0.9182
88 M1Q 0.9182
89 8XQ 0.9180
90 2LY 0.9180
91 67X 0.9180
92 MEW 0.9174
93 4HC 0.9173
94 M6N 0.9171
95 VNL 0.9171
96 NQ 0.9163
97 R8S 0.9163
98 MB1 0.9158
99 J9W 0.9157
100 2AL 0.9149
101 KIA 0.9147
102 QBK 0.9146
103 MUA 0.9143
104 EA1 0.9142
105 KDO 0.9134
106 BGC 0.9130
107 GDE 0.9128
108 I7A 0.9127
109 MZM 0.9123
110 XAZ 0.9123
111 TNL 0.9122
112 QSH 0.9119
113 CKU 0.9119
114 CSN 0.9119
115 PE0 0.9115
116 DNA 0.9112
117 9UG 0.9112
118 8WZ 0.9111
119 4MU 0.9109
120 I6G 0.9107
121 2AK 0.9106
122 CIT 0.9105
123 GOX 0.9104
124 HLZ 0.9103
125 GUN 0.9099
126 5JQ 0.9097
127 6R8 0.9096
128 Q24 0.9095
129 QX4 0.9094
130 4AV 0.9092
131 9MG 0.9091
132 OKM 0.9090
133 9DG 0.9089
134 0F9 0.9088
135 FGZ 0.9087
136 AZ8 0.9087
137 5NS 0.9081
138 UNC 0.9081
139 BTY 0.9081
140 NLA 0.9080
141 5JL 0.9078
142 DRL 0.9076
143 B55 0.9075
144 8GK 0.9073
145 SYA 0.9069
146 GLC 0.9069
147 MBG 0.9067
148 HJP 0.9067
149 75K 0.9056
150 A13 0.9051
151 AZA 0.9050
152 XAN 0.9048
153 H5B 0.9047
154 5VJ 0.9044
155 YH7 0.9043
156 HA5 0.9042
157 8TX 0.9040
158 692 0.9039
159 2D3 0.9039
160 XQG 0.9039
161 FWB 0.9035
162 TQU 0.9035
163 IJZ 0.9034
164 30G 0.9033
165 GTL 0.9033
166 5OB 0.9031
167 MVN 0.9030
168 XHP 0.9030
169 TWO 0.9030
170 MO8 0.9029
171 BPU 0.9026
172 2HU 0.9026
173 DHK 0.9023
174 M4E 0.9022
175 141 0.9022
176 M5H 0.9019
177 DQU 0.9019
178 6NI 0.9018
179 OTW 0.9018
180 F31 0.9017
181 APZ 0.9016
182 DIU 0.9016
183 NQM 0.9016
184 MNP 0.9016
185 6GU 0.9014
186 6ME 0.9014
187 DIE 0.9013
188 IGA 0.9011
189 15N 0.9010
190 A2F 0.9007
191 6AP 0.9007
192 2A7 0.9007
193 FBU 0.9007
194 PRZ 0.9003
195 NTZ 0.9003
196 BDP 0.9003
197 GTQ 0.9002
198 SYR 0.9002
199 OMD 0.8999
200 9FE 0.8994
201 28N 0.8994
202 DA4 0.8993
203 0FO 0.8993
204 3NY 0.8991
205 AH8 0.8989
206 1F1 0.8989
207 6NT 0.8989
208 SRO 0.8987
209 0JD 0.8987
210 S76 0.8987
211 EWG 0.8985
212 LZ2 0.8983
213 NFQ 0.8981
214 TVP 0.8981
215 1X8 0.8981
216 12B 0.8980
217 2ZM 0.8980
218 5NE 0.8980
219 BRT 0.8978
220 J01 0.8977
221 AZG 0.8976
222 3R6 0.8975
223 5F5 0.8974
224 DX4 0.8973
225 IOS 0.8970
226 60Q 0.8970
227 OVV 0.8970
228 0HO 0.8969
229 K3Q 0.8969
230 PQK 0.8968
231 B62 0.8968
232 XQK 0.8967
233 SR4 0.8967
234 290 0.8967
235 VM1 0.8966
236 0HN 0.8966
237 44V 0.8966
238 F0J 0.8964
239 6XI 0.8964
240 3HB 0.8963
241 V55 0.8963
242 MJ2 0.8963
243 I3A 0.8961
244 4CS 0.8961
245 ABI 0.8960
246 G3F 0.8959
247 DRG 0.8959
248 VXX 0.8958
249 3NT 0.8956
250 8IG 0.8954
251 NVU 0.8954
252 TSR 0.8953
253 495 0.8952
254 LT8 0.8951
255 1XM 0.8949
256 BZ3 0.8948
257 BOA 0.8948
258 WCE 0.8945
259 NGO 0.8944
260 E1T 0.8941
261 6OT 0.8940
262 AS3 0.8939
263 64C 0.8937
264 GAB 0.8937
265 HQD 0.8937
266 97T 0.8936
267 GNL 0.8935
268 KT7 0.8934
269 ONR 0.8933
270 5RG 0.8933
271 5VL 0.8930
272 7ME 0.8930
273 54G 0.8928
274 463 0.8928
275 5M0 0.8928
276 5NI 0.8925
277 3AB 0.8925
278 12M 0.8923
279 0N7 0.8923
280 QMS 0.8922
281 ICT 0.8921
282 XEN 0.8919
283 226 0.8916
284 TRC 0.8915
285 0CU 0.8915
286 MT0 0.8915
287 GAL 0.8914
288 6CS 0.8912
289 JAW 0.8911
290 15L 0.8911
291 3A9 0.8911
292 7HQ 0.8910
293 4A5 0.8908
294 X0W 0.8908
295 JB8 0.8908
296 3BZ 0.8907
297 5OF 0.8907
298 BCP 0.8906
299 44W 0.8906
300 5HN 0.8906
301 9TZ 0.8904
302 4XV 0.8904
303 CFP 0.8904
304 FLC 0.8903
305 ZZ3 0.8902
306 GTR 0.8902
307 0FK 0.8902
308 J9Q 0.8900
309 BHA 0.8898
310 AZ9 0.8897
311 8HC 0.8896
312 4M4 0.8896
313 8GC 0.8895
314 582 0.8895
315 FLV 0.8893
316 EY7 0.8891
317 AA 0.8889
318 LZM 0.8889
319 RM1 0.8888
320 JDN 0.8888
321 TSS 0.8887
322 2CG 0.8886
323 6DP 0.8886
324 3IT 0.8886
325 37T 0.8885
326 7MX 0.8884
327 IAC 0.8881
328 ODO 0.8881
329 X09 0.8880
330 LGC 0.8879
331 MS9 0.8878
332 42A 0.8878
333 C9E 0.8877
334 53C 0.8874
335 BMA 0.8872
336 4XY 0.8871
337 4XS 0.8870
338 5XC 0.8869
339 V6F 0.8867
340 2F6 0.8866
341 2J9 0.8864
342 GLY LEU 0.8862
343 3HA 0.8862
344 PXL 0.8861
345 1QP 0.8860
346 5PX 0.8859
347 GCB 0.8858
348 8S0 0.8858
349 39U 0.8857
350 209 0.8856
351 52C 0.8855
352 FA6 0.8855
353 PX7 0.8854
354 UFV 0.8853
355 VYM 0.8853
356 2O6 0.8853
357 PJW 0.8852
358 DBH 0.8850
359 9FL 0.8850
360 MQB 0.8849
361 PYQ 0.8849
362 BZJ 0.8848
363 GZ8 0.8846
364 5WX 0.8846
365 THA 0.8844
366 SKM 0.8844
367 SLS 0.8843
368 7CT 0.8842
369 NMJ 0.8842
370 M6Z 0.8841
371 DK1 0.8841
372 GM7 0.8841
373 M5N 0.8840
374 9KT 0.8840
375 M3Q 0.8840
376 EUG 0.8840
377 FA0 0.8839
378 TTY 0.8832
379 8VE 0.8832
380 5MK 0.8832
381 3DM 0.8831
382 5RO 0.8830
383 ARP 0.8825
384 GCS 0.8823
385 YQA 0.8823
386 LI6 0.8820
387 YSO 0.8819
388 8VN 0.8818
389 1IT 0.8817
390 QAS 0.8817
391 4VS 0.8816
392 HA7 0.8815
393 3J8 0.8814
394 AZM 0.8814
395 2JK 0.8813
396 FXH 0.8812
397 APS 0.8812
398 8MO 0.8810
399 49O 0.8809
400 JXW 0.8808
401 MAQ 0.8808
402 HH5 0.8807
403 EV0 0.8806
404 GJS 0.8804
405 HZQ 0.8804
406 ZB1 0.8804
407 3F0 0.8804
408 4Z4 0.8803
409 3M0 0.8801
410 4HM 0.8801
411 PHT 0.8800
412 2SX 0.8798
413 2FG 0.8798
414 8WO 0.8798
415 CLZ 0.8797
416 NLG 0.8797
417 KFH 0.8795
418 U7E 0.8793
419 9CA 0.8793
420 HQJ 0.8792
421 M1Z 0.8788
422 K3Y 0.8788
423 8XL 0.8788
424 4M0 0.8787
425 GCU 0.8787
426 ANF 0.8786
427 CWJ 0.8785
428 GLY PRO 0.8784
429 TTL 0.8784
430 0LH 0.8783
431 PFL 0.8780
432 9TW 0.8779
433 IBM 0.8776
434 TIU 0.8774
435 H33 0.8774
436 J9T 0.8773
437 2FY 0.8773
438 P9P 0.8771
439 ZON 0.8771
440 1XN 0.8770
441 HQT 0.8769
442 HHA 0.8769
443 Q71 0.8767
444 JBK 0.8766
445 W8G 0.8766
446 2FQ 0.8765
447 AOR 0.8765
448 IHB 0.8763
449 CHB 0.8763
450 6KT 0.8760
451 UEG 0.8760
452 B56 0.8758
453 B60 0.8756
454 F69 0.8755
455 680 0.8754
456 GTZ 0.8754
457 EVA 0.8754
458 E35 0.8753
459 N8Y 0.8753
460 TRA 0.8753
461 SHA 0.8752
462 SX1 0.8752
463 QSB 0.8751
464 Q88 0.8751
465 2UZ 0.8749
466 IV2 0.8749
467 20J 0.8748
468 7MU 0.8748
469 W81 0.8747
470 KBB 0.8747
471 9UL 0.8747
472 12Q 0.8746
473 5CU 0.8746
474 NOJ 0.8744
475 TT4 0.8742
476 3AL 0.8740
477 N2I 0.8740
478 HHT 0.8739
479 DOB 0.8738
480 DIN 0.8734
481 MYJ 0.8733
482 CFF 0.8733
483 S3P 0.8732
484 E7Z 0.8732
485 NDG 0.8730
486 2D0 0.8729
487 YIO 0.8728
488 MT8 0.8727
489 5NU 0.8727
490 069 0.8724
491 EYK 0.8724
492 QAT 0.8723
493 AY4 0.8723
494 7W1 0.8722
495 149 0.8722
496 EOL 0.8721
497 PEZ 0.8721
498 HMU 0.8721
499 AX3 0.8720
500 2KA 0.8720
501 B2J 0.8719
502 A7W 0.8717
503 ZYR 0.8717
504 TEP 0.8717
505 1GN 0.8715
506 QX2 0.8714
507 NTM 0.8713
508 CH9 0.8712
509 9R5 0.8711
510 KLW 0.8711
511 091 0.8707
512 HCA 0.8706
513 DHB 0.8705
514 NNO 0.8704
515 96R 0.8704
516 45L 0.8703
517 N2Z 0.8701
518 ZME 0.8698
519 BEA 0.8697
520 GLA 0.8697
521 FDB 0.8696
522 7B3 0.8695
523 3OC 0.8694
524 PHH 0.8694
525 5XB 0.8693
526 94W 0.8693
527 TRP 0.8692
528 61M 0.8692
529 FHB 0.8691
530 KJY 0.8688
531 9ZE 0.8688
532 L5V 0.8688
533 LT3 0.8685
534 K32 0.8684
535 1HN 0.8684
536 7UC 0.8684
537 AMG 0.8684
538 TOF 0.8683
539 QWW 0.8682
540 93K 0.8682
541 PH2 0.8681
542 K22 0.8677
543 51R 0.8676
544 7B4 0.8675
545 NPA 0.8675
546 4XH 0.8674
547 4NC 0.8673
548 NLQ 0.8671
549 UFO 0.8671
550 FYU 0.8669
551 0W8 0.8669
552 HH8 0.8669
553 GYE 0.8668
554 GJP 0.8666
555 DBX 0.8666
556 3HM 0.8664
557 I7B 0.8663
558 4A3 0.8661
559 5QX 0.8661
560 3TJ 0.8660
561 FRU 0.8659
562 Q7A 0.8659
563 SKA 0.8658
564 LSA 0.8656
565 FP1 0.8655
566 1NP 0.8655
567 8ZE 0.8652
568 2GQ 0.8652
569 54X 0.8651
570 QQQ 0.8651
571 4AA 0.8650
572 1SQ 0.8650
573 HHR 0.8649
574 MAJ 0.8649
575 F9Y 0.8648
576 INO 0.8648
577 LZB 0.8647
578 8NX 0.8646
579 49N 0.8645
580 KJH 0.8645
581 FDR 0.8644
582 TXW 0.8638
583 1Z8 0.8638
584 CWM 0.8637
585 N5J 0.8637
586 G1P 0.8636
587 BA5 0.8635
588 JLZ 0.8635
589 NDM 0.8633
590 LFQ 0.8633
591 878 0.8633
592 M1A 0.8632
593 SHG 0.8632
594 R8V 0.8632
595 PXM 0.8632
596 GIV 0.8632
597 B5D 0.8632
598 4ZC 0.8632
599 DX3 0.8629
600 K17 0.8627
601 2DR 0.8627
602 OCH 0.8627
603 39O 0.8627
604 AMR 0.8627
605 COU 0.8623
606 HMH 0.8622
607 2HO 0.8622
608 MYI 0.8618
609 OA3 0.8618
610 XFE 0.8617
611 ES0 0.8617
612 FBW 0.8616
613 MRW 0.8615
614 B53 0.8615
615 0P6 0.8614
616 8CM 0.8611
617 1LQ 0.8611
618 SOR 0.8610
619 5IQ 0.8610
620 XCZ 0.8609
621 4RU 0.8607
622 9KH 0.8605
623 GZL 0.8604
624 1A7 0.8603
625 FA3 0.8603
626 0W1 0.8600
627 CTS 0.8600
628 9X5 0.8600
629 ES1 0.8600
630 24W 0.8599
631 CFA 0.8597
632 ROI 0.8596
633 CWS 0.8595
634 2H5 0.8594
635 6TZ 0.8594
636 61O 0.8590
637 SXS 0.8590
638 1P3 0.8590
639 KDV 0.8589
640 96U 0.8588
641 K5W 0.8588
642 PQ0 0.8587
643 JBH 0.8587
644 5F8 0.8587
645 JPZ 0.8587
646 8WT 0.8583
647 KJU 0.8583
648 TBS 0.8582
649 2AQ 0.8581
650 1U1 0.8578
651 HQY 0.8578
652 4YS 0.8575
653 1LM 0.8575
654 DTR 0.8574
655 I3C 0.8572
656 KUF 0.8571
657 47J 0.8565
658 G12 0.8556
659 PFB 0.8551
660 DPZ 0.8548
661 ES5 0.8546
662 EGR 0.8545
663 3Z7 0.8539
664 4FH 0.8539
665 5SG 0.8538
666 ESI 0.8536
667 F2W 0.8530
668 5Q0 0.8530
669 4FS 0.8529
670 P3K 0.8529
671 BSP 0.8529
672 ET2 0.8527
673 JF2 0.8526
674 S0E 0.8526
675 03V 0.8524
676 ALL 0.8523
677 ES2 0.8521
678 3FH 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VP6; Ligand: HLD; 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: 3vp6.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VP6; Ligand: HLD; 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: 3vp6.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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