Receptor
PDB id Resolution Class Description Source Keywords
4IUO 1.8 Å EC: 4.2.1.10 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE SALMONELLA ENTERICA 3- DEHYDROQUINATE DEHYDRATASE (AROD) K170M MUTANT IN COMPLEX WQ UINATE SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM STRUCTURAL GENOMICS NIAID NATIONAL INSTITUTE OF ALLERGY ANINFECTIOUS DISEASES CENTER FOR STRUCTURAL GENOMICS OF INFEDISEASES CSGID TIM BARREL LYASE
Ref.: CRYSTAL STRUCTURES OF TYPE I DEHYDROQUINATE DEHYDRA COMPLEX WITH QUINATE AND SHIKIMATE SUGGEST A NOVEL OF SCHIFF BASE FORMATION. BIOCHEMISTRY V. 53 872 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
QIC B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
192.167 C7 H12 O6 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NNT 1.6 Å EC: 4.2.1.10 CRYSTAL STRUCTURE OF K170M MUTANT OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE (AROD) FROM SALMONELLA TYPHIMURIUM LT2 IN NON-CC OMPLEX WITH DEHYDROQUINATE. SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID LYASE
Ref.: INSIGHTS INTO THE MECHANISM OF TYPE I DEHYDROQUINAT DEHYDRATASES FROM STRUCTURES OF REACTION INTERMEDIA J.BIOL.CHEM. V. 286 3531 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4IUO - QIC C7 H12 O6 C1[C@H](C(....
2 3NNT - DQA C7 H10 O6 C1[C@H]([C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L9W - DHS C7 H10 N O4 C1[C@H]([C....
2 4CNO - 9PY C8 H12 O6 C[C@H]1C(=....
3 4IUO - QIC C7 H12 O6 C1[C@H](C(....
4 3NNT - DQA C7 H10 O6 C1[C@H]([C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1L9W - DHS C7 H10 N O4 C1[C@H]([C....
2 4CNO - 9PY C8 H12 O6 C[C@H]1C(=....
3 4IUO - QIC C7 H12 O6 C1[C@H](C(....
4 3NNT - DQA C7 H10 O6 C1[C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QIC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 QIC 1 1
2 CRB 0.47619 0.692308
3 DQA 0.410256 0.964286
Similar Ligands (3D)
Ligand no: 1; Ligand: QIC; Similar ligands found: 944
No: Ligand Similarity coefficient
1 9PY 0.9640
2 SKM 0.9638
3 FA1 0.9578
4 FA3 0.9515
5 4NC 0.9463
6 GDE 0.9418
7 INO 0.9404
8 93K 0.9402
9 DHB 0.9400
10 CHB 0.9395
11 GIV 0.9379
12 MYJ 0.9367
13 DHK 0.9357
14 GXL 0.9348
15 IHB 0.9332
16 XX2 0.9329
17 9TW 0.9329
18 P9P 0.9325
19 QSB 0.9300
20 HJP 0.9295
21 FA6 0.9283
22 ADA 0.9279
23 DHS 0.9279
24 FHB 0.9278
25 NNO 0.9275
26 4A3 0.9275
27 3HM 0.9273
28 2HO 0.9269
29 QSH 0.9268
30 GTR 0.9255
31 92K 0.9250
32 VNL 0.9245
33 IFP 0.9244
34 FLC 0.9244
35 BGC 0.9236
36 UFV 0.9236
37 ZXD 0.9222
38 4XV 0.9216
39 BDP 0.9209
40 4SX 0.9198
41 EVA 0.9192
42 FHN 0.9192
43 4CS 0.9192
44 X0V 0.9189
45 HDL 0.9189
46 GCB 0.9188
47 GAL 0.9183
48 23J 0.9168
49 60Q 0.9168
50 EKZ 0.9166
51 8WO 0.9163
52 3NT 0.9162
53 NGO 0.9160
54 FGZ 0.9157
55 IPM 0.9152
56 4P0 0.9151
57 34D 0.9148
58 Q88 0.9147
59 JLZ 0.9144
60 4XS 0.9142
61 GCU 0.9137
62 149 0.9136
63 2FG 0.9136
64 LDP 0.9135
65 GAB 0.9134
66 4AA 0.9132
67 GLA 0.9130
68 T9G 0.9127
69 LNR 0.9127
70 15L 0.9124
71 ALL 0.9121
72 3OC 0.9121
73 D1X 0.9111
74 PAB 0.9111
75 5QX 0.9110
76 PHB 0.9105
77 NPO 0.9105
78 42J 0.9103
79 AZ9 0.9102
80 KBG 0.9102
81 97T 0.9098
82 2AL 0.9094
83 DOR 0.9094
84 ICO 0.9093
85 NDH 0.9089
86 4FH 0.9089
87 ORO 0.9087
88 YIO 0.9087
89 1GN 0.9087
90 CTL 0.9087
91 CN0 0.9086
92 5RO 0.9086
93 Q6T 0.9084
94 OVV 0.9082
95 B0D 0.9081
96 0HO 0.9074
97 F31 0.9074
98 2FT 0.9071
99 XYH 0.9070
100 X6X 0.9070
101 6NT 0.9070
102 53C 0.9070
103 3Z8 0.9070
104 5RN 0.9069
105 3HB 0.9069
106 ISD 0.9068
107 3IT 0.9068
108 RAT 0.9068
109 DGJ 0.9067
110 SHA 0.9067
111 0N7 0.9066
112 3A9 0.9065
113 J9Q 0.9065
114 12Q 0.9064
115 PRZ 0.9064
116 DHY 0.9062
117 4XR 0.9062
118 2ZM 0.9062
119 BDF 0.9059
120 HQT 0.9057
121 K5W 0.9056
122 HQD 0.9054
123 7W1 0.9051
124 L99 0.9051
125 2H5 0.9047
126 3NY 0.9045
127 Z5P 0.9044
128 ASC 0.9044
129 TTL 0.9043
130 AKH 0.9043
131 948 0.9042
132 GZQ 0.9041
133 HXX 0.9037
134 LRH 0.9037
135 0HN 0.9031
136 E7Z 0.9030
137 1AL 0.9027
138 GAF 0.9027
139 OXC 0.9024
140 CIT 0.9023
141 3C4 0.9023
142 67N 0.9020
143 PBZ 0.9020
144 SWA 0.9018
145 ES0 0.9017
146 EMZ 0.9016
147 V55 0.9015
148 0P6 0.9015
149 AH8 0.9013
150 ASO 0.9012
151 GTQ 0.9010
152 J9T 0.9009
153 R8V 0.9008
154 KJH 0.9008
155 FRU 0.9008
156 HX3 0.9008
157 8WT 0.9007
158 GLC 0.9007
159 42C 0.9007
160 091 0.9006
161 7D2 0.9005
162 G4D 0.9005
163 DOB 0.9004
164 C2Y 0.9003
165 2C2 0.9003
166 FX1 0.9001
167 4P5 0.9000
168 TLA 0.9000
169 A13 0.8999
170 51R 0.8999
171 OHP 0.8999
172 GCO 0.8999
173 SJ5 0.8993
174 289 0.8992
175 SOE 0.8992
176 5RG 0.8990
177 HQJ 0.8990
178 AFR 0.8989
179 KOJ 0.8989
180 2TQ 0.8989
181 GYE 0.8988
182 MFU 0.8987
183 NCT 0.8987
184 K2P 0.8986
185 FDK 0.8985
186 3HA 0.8984
187 GBN 0.8983
188 R9S 0.8983
189 H7Y 0.8983
190 Z82 0.8982
191 1F1 0.8981
192 54G 0.8981
193 HQ9 0.8981
194 OMD 0.8981
195 LT2 0.8980
196 SYG 0.8979
197 8EZ 0.8978
198 LT8 0.8977
199 M2K 0.8977
200 CWM 0.8977
201 3AB 0.8977
202 IF7 0.8975
203 1LQ 0.8975
204 CAX 0.8974
205 5M0 0.8974
206 6PC 0.8974
207 CBF 0.8971
208 FH2 0.8971
209 TWO 0.8971
210 FUL 0.8970
211 3C7 0.8970
212 0F9 0.8968
213 DBH 0.8966
214 9TZ 0.8965
215 URC 0.8964
216 AW5 0.8964
217 FE DB1 0.8963
218 5DI 0.8963
219 6XI 0.8961
220 AEH 0.8961
221 7WR 0.8961
222 8GC 0.8961
223 M1A 0.8961
224 ES6 0.8960
225 HBD 0.8960
226 A7W 0.8959
227 2CZ 0.8957
228 JTH 0.8956
229 IV2 0.8956
230 5HN 0.8953
231 XXG 0.8951
232 BMA 0.8950
233 CCB 0.8949
234 5CU 0.8949
235 ABI 0.8948
236 XAN 0.8947
237 A29 0.8947
238 SXS 0.8946
239 VXX 0.8946
240 P72 0.8946
241 G3F 0.8946
242 ENL 0.8945
243 NGT 0.8944
244 WCE 0.8944
245 5WV 0.8944
246 4TE 0.8943
247 IJZ 0.8943
248 3MB 0.8943
249 ONR 0.8942
250 3FH 0.8940
251 4Z4 0.8940
252 NOY 0.8940
253 CIP 0.8939
254 4MA 0.8939
255 APZ 0.8938
256 57O 0.8937
257 SHG 0.8937
258 GCS 0.8936
259 KKN 0.8936
260 DIN 0.8935
261 F0J 0.8935
262 N5J 0.8934
263 JAW 0.8933
264 LYL 0.8933
265 5SG 0.8933
266 AC6 0.8933
267 SVD 0.8932
268 1SQ 0.8931
269 UNC 0.8930
270 1XA 0.8930
271 H62 0.8929
272 FCR 0.8929
273 FOT 0.8927
274 G2F 0.8926
275 BRT 0.8926
276 3U4 0.8926
277 IP0 0.8926
278 LCN 0.8925
279 EA1 0.8925
280 IFL 0.8923
281 LGC 0.8923
282 2HU 0.8922
283 5IQ 0.8921
284 1WC 0.8921
285 NCD 0.8921
286 SAL 0.8920
287 BHO 0.8919
288 HDH 0.8919
289 BHA 0.8919
290 FUF 0.8919
291 86J 0.8919
292 SAF 0.8918
293 A9P 0.8918
294 JBH 0.8917
295 SF9 0.8917
296 NOJ 0.8916
297 BEA 0.8915
298 GRO 0.8915
299 SKA 0.8914
300 52C 0.8914
301 4ME 0.8913
302 SF6 0.8911
303 BE2 0.8909
304 MBG 0.8909
305 CWS 0.8909
306 3HP 0.8908
307 ES7 0.8908
308 JBK 0.8907
309 4YS 0.8907
310 B2Y 0.8907
311 8S0 0.8907
312 069 0.8906
313 0LH 0.8906
314 6FZ 0.8906
315 1NP 0.8905
316 9FL 0.8905
317 PZI 0.8904
318 FA0 0.8904
319 RMN 0.8904
320 JPZ 0.8904
321 ES1 0.8904
322 826 0.8904
323 M4T 0.8903
324 1P3 0.8902
325 RHU 0.8902
326 3BZ 0.8901
327 NMJ 0.8901
328 1LM 0.8901
329 K6H 0.8901
330 O72 0.8900
331 ISN 0.8900
332 0FN 0.8900
333 1Y6 0.8899
334 FP1 0.8899
335 3CU 0.8897
336 XXP 0.8897
337 39O 0.8896
338 3SK 0.8896
339 173 0.8896
340 BZ3 0.8895
341 BZ2 0.8895
342 G5V 0.8895
343 5HY 0.8895
344 0JD 0.8893
345 8CM 0.8893
346 HA5 0.8893
347 6NI 0.8888
348 HHH 0.8887
349 5Q0 0.8886
350 4HM 0.8886
351 6CS 0.8886
352 7NI 0.8886
353 2CL 0.8885
354 RIB 0.8885
355 2A9 0.8885
356 EUG 0.8885
357 3PF 0.8885
358 4M4 0.8885
359 5NI 0.8884
360 LFR 0.8884
361 MFB 0.8883
362 HQY 0.8881
363 LSA 0.8880
364 5WY 0.8880
365 DBX 0.8880
366 MRW 0.8879
367 SYA 0.8879
368 2FY 0.8879
369 AMG 0.8878
370 FBT 0.8876
371 4PW 0.8876
372 FUC 0.8875
373 FBV 0.8875
374 3M0 0.8874
375 KUF 0.8873
376 KBB 0.8873
377 M0Q 0.8873
378 92P 0.8872
379 3F0 0.8872
380 SW7 0.8872
381 ARP 0.8871
382 5NU 0.8871
383 GLT 0.8867
384 PNZ 0.8867
385 M72 0.8866
386 TYL 0.8866
387 7W4 0.8866
388 MAN 0.8865
389 2ZQ 0.8864
390 I3A 0.8863
391 QPR 0.8862
392 6M4 0.8862
393 9KH 0.8861
394 H6B 0.8860
395 4HC 0.8860
396 174 0.8858
397 OTR 0.8857
398 BSX 0.8856
399 IT9 0.8856
400 QY9 0.8855
401 TSU 0.8854
402 XCZ 0.8853
403 SX1 0.8852
404 J9W 0.8852
405 7VS 0.8850
406 5OB 0.8850
407 C2U 0.8850
408 RNT 0.8850
409 GZL 0.8850
410 7N0 0.8849
411 XIY 0.8849
412 WOO 0.8848
413 NDG 0.8847
414 DNF 0.8847
415 GLF 0.8847
416 HHA 0.8846
417 VOH 0.8846
418 9ZE 0.8845
419 JFJ 0.8844
420 HIS 0.8843
421 4HP 0.8843
422 3ID 0.8842
423 GVG 0.8842
424 FBU 0.8841
425 BNT 0.8840
426 TSS 0.8840
427 GTL 0.8840
428 CTS 0.8840
429 FBW 0.8840
430 X05 0.8839
431 9MG 0.8839
432 7B4 0.8839
433 PSV 0.8838
434 8TX 0.8837
435 XX3 0.8836
436 94B 0.8836
437 RNS 0.8835
438 F34 0.8835
439 GF4 0.8835
440 5QY 0.8834
441 7A8 0.8833
442 8GK 0.8833
443 AHR 0.8832
444 2D0 0.8832
445 ALA PRO 0.8831
446 261 0.8831
447 4M0 0.8830
448 329 0.8830
449 SRT 0.8829
450 EXD 0.8827
451 FBM 0.8827
452 KTA 0.8827
453 2M5 0.8824
454 DZX 0.8824
455 7MH 0.8823
456 GTC 0.8822
457 SMN 0.8822
458 NTM 0.8821
459 9DG 0.8820
460 PBC 0.8820
461 24W 0.8819
462 9RW 0.8819
463 449 0.8819
464 NVU 0.8819
465 M0W 0.8818
466 2HQ 0.8818
467 2GS 0.8816
468 JZ4 0.8816
469 GUN 0.8815
470 6TZ 0.8815
471 C5A 0.8815
472 L5V 0.8815
473 JDN 0.8815
474 X09 0.8815
475 ANN 0.8814
476 MSR 0.8814
477 BNL 0.8813
478 ICB 0.8813
479 DC5 0.8813
480 N2Z 0.8812
481 MMA 0.8812
482 JB8 0.8811
483 15N 0.8811
484 HBA 0.8811
485 DQU 0.8811
486 BEN 0.8810
487 B53 0.8810
488 5XC 0.8809
489 RBL 0.8808
490 HPA 0.8808
491 2LP 0.8807
492 TAG 0.8807
493 4ZA 0.8806
494 NAG 0.8805
495 PXL 0.8805
496 AY4 0.8804
497 PHT 0.8804
498 B62 0.8804
499 SS2 0.8804
500 CFI 0.8802
501 INE 0.8802
502 7MK 0.8802
503 270 0.8801
504 AX7 0.8801
505 TVP 0.8801
506 CPZ 0.8801
507 OA3 0.8801
508 ISZ 0.8800
509 BPS 0.8800
510 4FA 0.8800
511 NQ 0.8800
512 G3E 0.8800
513 AZ8 0.8798
514 MS9 0.8798
515 GLN 0.8798
516 F9P 0.8797
517 GL4 0.8797
518 TRC 0.8797
519 RXA 0.8797
520 EDR 0.8796
521 AVI 0.8796
522 4JQ 0.8796
523 12T 0.8795
524 9FE 0.8794
525 APG 0.8794
526 4WL 0.8793
527 3MG 0.8791
528 BEZ 0.8790
529 95Z 0.8789
530 ZWZ 0.8789
531 EYK 0.8788
532 2LY 0.8788
533 YRL 0.8787
534 293 0.8786
535 MJ2 0.8786
536 CGB 0.8786
537 DMD 0.8785
538 2FQ 0.8785
539 SAN 0.8784
540 I4B 0.8784
541 7A3 0.8783
542 QM1 0.8783
543 L13 0.8783
544 AEF 0.8782
545 VK3 0.8782
546 NID 0.8782
547 COU 0.8782
548 OVM 0.8781
549 PA1 0.8781
550 PAC 0.8781
551 7MU 0.8779
552 SYV 0.8779
553 GOG 0.8778
554 DNC 0.8778
555 AZA 0.8778
556 ET2 0.8778
557 KDF 0.8777
558 TEP 0.8777
559 34V 0.8777
560 0OC 0.8777
561 6RQ 0.8776
562 TOF 0.8776
563 9RH 0.8776
564 UNU 0.8774
565 BAM 0.8774
566 CXF 0.8774
567 HHT 0.8774
568 IPZ 0.8774
569 A9O 0.8774
570 4XH 0.8774
571 NBZ 0.8773
572 SE2 0.8772
573 NCA 0.8772
574 495 0.8771
575 J5I 0.8771
576 717 0.8770
577 MT0 0.8769
578 GRE 0.8768
579 JKE 0.8768
580 AEG 0.8767
581 APS 0.8767
582 ICT 0.8767
583 AS3 0.8766
584 SEP 0.8766
585 BTY 0.8765
586 6F0 0.8765
587 BPN 0.8764
588 TTY 0.8764
589 E5X 0.8763
590 AMH 0.8763
591 791 0.8762
592 SOR 0.8761
593 IAC 0.8761
594 3MF 0.8761
595 UAN 0.8760
596 ODO 0.8760
597 D48 0.8760
598 FBS 0.8759
599 MUA 0.8759
600 EV0 0.8759
601 9CA 0.8758
602 2MI 0.8758
603 45L 0.8758
604 PZA 0.8756
605 XUL 0.8756
606 SR1 0.8755
607 4RW 0.8755
608 PMF 0.8755
609 NIO 0.8755
610 4NG 0.8754
611 0W8 0.8754
612 Q24 0.8754
613 5JQ 0.8754
614 OSE 0.8753
615 ADE 0.8753
616 2EC 0.8752
617 PDC 0.8752
618 KFH 0.8751
619 PD2 0.8749
620 3BU 0.8748
621 FCB 0.8747
622 1M2 0.8746
623 4JT 0.8746
624 N8Y 0.8746
625 HLZ 0.8745
626 6M1 0.8745
627 1LN 0.8745
628 2AQ 0.8745
629 CLW 0.8744
630 2PG 0.8744
631 RIM 0.8744
632 AMS 0.8742
633 AAS 0.8742
634 75K 0.8742
635 PFB 0.8740
636 GZ8 0.8740
637 REL 0.8738
638 GJZ 0.8737
639 8W9 0.8737
640 L7T 0.8737
641 FUD 0.8736
642 5MK 0.8736
643 ES5 0.8736
644 3PG 0.8735
645 03V 0.8735
646 DBJ 0.8735
647 RM1 0.8734
648 36E 0.8734
649 M74 0.8733
650 URS 0.8733
651 1IT 0.8733
652 BCU 0.8732
653 T6C 0.8731
654 ARB 0.8731
655 6W6 0.8731
656 QAT 0.8731
657 ABV 0.8731
658 3AL 0.8731
659 MEW 0.8731
660 MT5 0.8731
661 AQO 0.8731
662 M5K 0.8730
663 7HP 0.8730
664 MXN 0.8730
665 RBJ 0.8729
666 HIO 0.8729
667 B55 0.8729
668 CH9 0.8728
669 MR1 0.8728
670 PE0 0.8728
671 SC2 0.8728
672 5WU 0.8727
673 FEH 0.8726
674 GLY PRO 0.8725
675 256 0.8723
676 SDD 0.8723
677 20J 0.8723
678 FAN 0.8723
679 AJ2 0.8722
680 YCP 0.8722
681 XSP 0.8721
682 M1E 0.8721
683 PEY 0.8720
684 VNJ 0.8720
685 6ME 0.8720
686 QX4 0.8720
687 XAZ 0.8719
688 MAJ 0.8719
689 4J8 0.8719
690 XLS 0.8718
691 PHU 0.8718
692 RAM 0.8718
693 TPA 0.8718
694 ADZ 0.8717
695 4FS 0.8717
696 IPB 0.8716
697 EGR 0.8716
698 KJY 0.8716
699 4VY 0.8716
700 OW4 0.8715
701 K97 0.8714
702 AX3 0.8714
703 KLW 0.8714
704 XHP 0.8713
705 OCH 0.8713
706 N3W 0.8713
707 QAS 0.8712
708 XXR 0.8711
709 7HQ 0.8711
710 ES2 0.8711
711 ESI 0.8710
712 K3Q 0.8710
713 PPY 0.8710
714 M1H 0.8709
715 RM4 0.8709
716 36R 0.8707
717 61M 0.8705
718 GLO 0.8705
719 2O6 0.8704
720 FDR 0.8703
721 AZG 0.8702
722 ARW 0.8701
723 7VJ 0.8700
724 61O 0.8700
725 RSO 0.8700
726 KGK 0.8699
727 EU7 0.8698
728 F05 0.8698
729 3V4 0.8697
730 FB1 0.8697
731 10L 0.8695
732 TRA 0.8694
733 FBB 0.8694
734 UNJ 0.8693
735 8XL 0.8692
736 B57 0.8692
737 Q71 0.8691
738 OVP 0.8689
739 7ZE 0.8688
740 XQ0 0.8687
741 K34 0.8687
742 MQN 0.8686
743 HNQ 0.8686
744 4NM 0.8685
745 5NS 0.8684
746 KJU 0.8684
747 MLT 0.8684
748 Q03 0.8684
749 44V 0.8683
750 AKG 0.8681
751 BZX 0.8680
752 8NX 0.8679
753 7ME 0.8679
754 DIU 0.8679
755 1P8 0.8679
756 NBG 0.8677
757 M1Q 0.8676
758 GV9 0.8676
759 1A7 0.8676
760 RIP 0.8676
761 TFU 0.8675
762 FYU 0.8675
763 PHE 0.8675
764 1XN 0.8675
765 PYQ 0.8674
766 B5D 0.8674
767 GLU 0.8674
768 XM0 0.8673
769 28N 0.8673
770 K2T 0.8673
771 HPS 0.8672
772 0FK 0.8672
773 Q7A 0.8672
774 2A7 0.8671
775 A2G 0.8671
776 BPY 0.8670
777 82I 0.8670
778 2AS 0.8669
779 4MU 0.8668
780 3XX 0.8668
781 DMJ 0.8668
782 SQ7 0.8667
783 PMB 0.8667
784 IOS 0.8667
785 SRO 0.8667
786 7Q1 0.8667
787 LKA 0.8667
788 8HC 0.8667
789 2BG 0.8666
790 428 0.8665
791 R20 0.8665
792 AOS 0.8665
793 OTW 0.8664
794 FDB 0.8664
795 44W 0.8663
796 M5E 0.8662
797 RUU 0.8662
798 AUD 0.8661
799 QMP 0.8660
800 SNE 0.8658
801 HY1 0.8658
802 M5H 0.8657
803 BNS 0.8656
804 V6F 0.8656
805 4VP 0.8656
806 DAS 0.8656
807 JG8 0.8656
808 3DM 0.8655
809 ROR 0.8654
810 DGL 0.8654
811 MUC 0.8652
812 B3U 0.8651
813 ZZ8 0.8651
814 1SV 0.8651
815 1DJ 0.8651
816 6R8 0.8650
817 NIZ 0.8649
818 JKZ 0.8649
819 TH7 0.8648
820 KYA 0.8648
821 DFB 0.8648
822 QUS 0.8648
823 2MN 0.8647
824 0W1 0.8647
825 IUP 0.8647
826 AIN 0.8646
827 1WD 0.8645
828 JND 0.8645
829 2CK 0.8643
830 TIU 0.8643
831 TT4 0.8642
832 GOX 0.8639
833 IFM 0.8639
834 HMH 0.8639
835 TAR 0.8638
836 GYP 0.8638
837 HH5 0.8637
838 TRP 0.8636
839 HY3 0.8634
840 SS1 0.8632
841 CRN 0.8632
842 MWP 0.8632
843 MO8 0.8632
844 LAO 0.8632
845 GLS 0.8631
846 BTE 0.8630
847 R1P 0.8630
848 QSC 0.8630
849 271 0.8630
850 5VM 0.8630
851 GLG 0.8628
852 PIM 0.8628
853 O2A 0.8627
854 9KT 0.8622
855 K7M 0.8622
856 15E 0.8622
857 OAA 0.8621
858 TMH 0.8621
859 C1M 0.8620
860 209 0.8619
861 TZE 0.8619
862 DYT 0.8618
863 36Y 0.8618
864 MVL 0.8616
865 4YO 0.8616
866 CFF 0.8615
867 FB2 0.8614
868 MNM 0.8613
869 AI2 0.8612
870 DFU 0.8612
871 CDV 0.8611
872 FBA 0.8609
873 PEP 0.8608
874 R2B 0.8607
875 S24 0.8607
876 NHG 0.8607
877 8H8 0.8606
878 EHM 0.8606
879 SNU 0.8606
880 AC0 0.8605
881 SN4 0.8604
882 SYC 0.8604
883 PSJ 0.8604
884 DIE 0.8604
885 H33 0.8603
886 259 0.8600
887 HA7 0.8596
888 F1A 0.8594
889 PBA 0.8593
890 PJW 0.8591
891 0FO 0.8590
892 GCV 0.8590
893 4RU 0.8585
894 25W 0.8584
895 FCA 0.8584
896 HMU 0.8583
897 GJP 0.8582
898 5GU 0.8581
899 5AC 0.8581
900 TGX 0.8580
901 PEL 0.8579
902 TLM 0.8578
903 GIO 0.8577
904 2BX 0.8577
905 AOT 0.8576
906 1FF 0.8575
907 ICF 0.8575
908 4PN 0.8573
909 4JL 0.8571
910 HC4 0.8571
911 OGA 0.8569
912 GWM 0.8564
913 P84 0.8562
914 7QS 0.8562
915 2F8 0.8561
916 MHK 0.8561
917 GLL 0.8560
918 6LW 0.8556
919 UFO 0.8554
920 PRF 0.8553
921 C2B 0.8553
922 PEA 0.8552
923 G6D 0.8551
924 PH2 0.8548
925 2D3 0.8546
926 D3M 0.8546
927 TIH 0.8545
928 505 0.8544
929 GXY 0.8544
930 M4S 0.8542
931 SIF 0.8541
932 CFA 0.8539
933 4TU 0.8538
934 INS 0.8535
935 1N4 0.8532
936 AVJ 0.8532
937 M45 0.8532
938 VGD 0.8530
939 ZZ3 0.8529
940 NPA 0.8529
941 PXM 0.8528
942 LMR 0.8528
943 NGA 0.8525
944 6VD 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NNT; Ligand: DQA; 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: 3nnt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NNT; Ligand: DQA; 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: 3nnt.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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