Receptor
PDB id Resolution Class Description Source Keywords
5IWE 1.71 Å EC: 5.-.-.- E45Q MUTANT OF PHENAZINE BIOSYNTHESIS PROTEIN PHZF IN COMPLE (5R,6R)-6-AZANIUMYL-5-ETHOXYCYCLOHEXA-1,3-DIENE-1-CARBOXYLA PSEUDOMONAS FLUORESCENS ISOMERASE COMPLEX SUBSTRATE ANALOGUE
Ref.: MECHANISMS AND SPECIFICITY OF PHENAZINE BIOSYNTHESI PHZF. SCI REP V. 7 6272 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:304;
A:305;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PEG A:302;
A:303;
 Invalid;
Invalid;
 none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
W81 A:301;
 Valid;
 none;
 submit data
183.204 C9 H13 N O3 CCO[C...
GOL A:306;
A:307;
 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
1U1W 1.35 Å EC: 5.-.-.- STRUCTURE AND FUNCTION OF PHENAZINE-BIOSYNTHESIS PROTEIN PHZ PSEUDOMONAS FLUORESCENS 2-79 PSEUDOMONAS FLUORESCENS PHENAZINE BIOSYNTHESIS ACID/BASE CATALYSIS ISOMERASE CLOSLYASE
Ref.: STRUCTURE AND FUNCTION OF THE PHENAZINE BIOSYNTHETI PHZF FROM PSEUDOMONAS FLUORESCENS. PROC.NATL.ACAD.SCI.USA V. 101 16431 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 1XUA - HHA C7 H9 N O3 C1=C[C@@H]....
2 1U1X - HHA C7 H9 N O3 C1=C[C@@H]....
3 5IWE - W81 C9 H13 N O3 CCO[C@@H]1....
4 1U1W Kd = 1.4 uM 3HA C7 H7 N O3 c1cc(c(c(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1XUA - HHA C7 H9 N O3 C1=C[C@@H]....
2 1U1X - HHA C7 H9 N O3 C1=C[C@@H]....
3 5IWE - W81 C9 H13 N O3 CCO[C@@H]1....
4 1U1W Kd = 1.4 uM 3HA C7 H7 N O3 c1cc(c(c(c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1XUA - HHA C7 H9 N O3 C1=C[C@@H]....
2 1U1X - HHA C7 H9 N O3 C1=C[C@@H]....
3 5IWE - W81 C9 H13 N O3 CCO[C@@H]1....
4 1U1W Kd = 1.4 uM 3HA C7 H7 N O3 c1cc(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: W81; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 W81 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: W81; Similar ligands found: 634
No: Ligand Similarity coefficient
1 RD4 0.9681
2 OW7 0.9522
3 3DM 0.9392
4 4TU 0.9364
5 OVP 0.9361
6 6KT 0.9343
7 INE 0.9331
8 KDV 0.9329
9 OVM 0.9305
10 OW4 0.9284
11 7VS 0.9265
12 ANN 0.9251
13 BK9 0.9246
14 N2I 0.9244
15 2KA 0.9237
16 2LY 0.9231
17 NAG 0.9218
18 KIB 0.9212
19 BCU 0.9210
20 92P 0.9209
21 6VD 0.9207
22 XEN 0.9199
23 RNO 0.9198
24 PNZ 0.9194
25 8WO 0.9193
26 KJU 0.9191
27 PQ0 0.9184
28 3XR 0.9183
29 A7H 0.9170
30 SNO 0.9169
31 CWJ 0.9166
32 F9Y 0.9162
33 3R6 0.9160
34 PE0 0.9155
35 PFL 0.9151
36 327 0.9151
37 DQU 0.9146
38 5OB 0.9146
39 SRO 0.9142
40 3VX 0.9135
41 1F1 0.9131
42 3MB 0.9128
43 TXW 0.9126
44 PRF 0.9125
45 PDC 0.9119
46 TNX 0.9118
47 ST2 0.9118
48 AQO 0.9113
49 M4E 0.9109
50 MEW 0.9109
51 9R5 0.9106
52 A2G 0.9102
53 FDR 0.9102
54 C2Y 0.9100
55 M6N 0.9099
56 8TX 0.9095
57 94W 0.9086
58 BZ3 0.9085
59 9ZE 0.9084
60 OTW 0.9082
61 4YO 0.9082
62 DBH 0.9081
63 PQZ 0.9081
64 PQK 0.9080
65 CLZ 0.9079
66 NID 0.9078
67 7FF 0.9076
68 J9W 0.9076
69 2ZM 0.9076
70 6NT 0.9075
71 TWO 0.9073
72 GDL 0.9070
73 TSS 0.9068
74 M1E 0.9066
75 NDG 0.9065
76 0JD 0.9064
77 JAW 0.9063
78 URC 0.9063
79 NGA 0.9062
80 M6Z 0.9061
81 DRG 0.9057
82 A7N 0.9057
83 3MG 0.9056
84 XHP 0.9054
85 MQN 0.9054
86 ES2 0.9054
87 M0Q 0.9053
88 8ZE 0.9053
89 APS 0.9050
90 M1H 0.9048
91 K82 0.9046
92 HLZ 0.9046
93 6NI 0.9045
94 PD2 0.9044
95 1HN 0.9040
96 44W 0.9039
97 0HO 0.9036
98 DA4 0.9035
99 3NY 0.9035
100 5JQ 0.9033
101 2GQ 0.9033
102 MD6 0.9033
103 M0W 0.9030
104 0HN 0.9030
105 0TU 0.9029
106 6ME 0.9028
107 DIU 0.9027
108 DIE 0.9027
109 HHR 0.9025
110 7B3 0.9025
111 1P8 0.9024
112 OIA 0.9023
113 DNA 0.9023
114 3F0 0.9023
115 4RU 0.9018
116 PH2 0.9016
117 GJP 0.9015
118 12T 0.9015
119 GO2 0.9015
120 ARP 0.9011
121 VM1 0.9010
122 LTM 0.9010
123 HHA 0.9010
124 HBO 0.9009
125 3HA 0.9008
126 3M0 0.9008
127 PSJ 0.9003
128 QBK 0.9002
129 N91 0.9000
130 4M0 0.9000
131 7MX 0.8998
132 CKA 0.8994
133 JB8 0.8992
134 B62 0.8991
135 JBK 0.8991
136 5CU 0.8991
137 NFM 0.8990
138 5XC 0.8990
139 Q24 0.8988
140 MS9 0.8988
141 0FO 0.8987
142 M5K 0.8987
143 MFZ 0.8983
144 8G0 0.8982
145 MVN 0.8982
146 H5B 0.8981
147 4JQ 0.8981
148 FE DB1 0.8980
149 FA0 0.8979
150 4BY 0.8979
151 OQC 0.8978
152 8GK 0.8977
153 15N 0.8976
154 8IG 0.8976
155 AMH 0.8974
156 CKU 0.8971
157 E1T 0.8971
158 54X 0.8971
159 5GU 0.8970
160 HA5 0.8969
161 XAZ 0.8969
162 O2A 0.8968
163 B55 0.8967
164 3R4 0.8967
165 AJ2 0.8967
166 AZM 0.8965
167 P9E 0.8964
168 27B 0.8962
169 DRL 0.8961
170 4AA 0.8960
171 BTY 0.8959
172 X0U 0.8959
173 JDN 0.8959
174 EV2 0.8959
175 75K 0.8958
176 OKM 0.8957
177 DOB 0.8957
178 15E 0.8956
179 N8Y 0.8954
180 3A9 0.8953
181 4ME 0.8951
182 JXZ 0.8950
183 BHA 0.8948
184 5JL 0.8947
185 ODO 0.8947
186 FUD 0.8946
187 4NM 0.8941
188 RVE 0.8940
189 FLC 0.8940
190 8NX 0.8938
191 IFG 0.8937
192 28S 0.8937
193 4I8 0.8935
194 AOS 0.8934
195 BZJ 0.8934
196 BEU 0.8933
197 MZM 0.8932
198 DBJ 0.8931
199 5NE 0.8931
200 NLA 0.8930
201 5NI 0.8927
202 1A7 0.8925
203 0LH 0.8922
204 AZ8 0.8922
205 J6W 0.8921
206 363 0.8919
207 D07 0.8919
208 VGD 0.8919
209 VK3 0.8919
210 4BL 0.8917
211 MR1 0.8916
212 ZHA 0.8914
213 PEY 0.8911
214 3QV 0.8909
215 GNL 0.8908
216 NSG 0.8908
217 9VZ 0.8907
218 2BG 0.8906
219 7ZE 0.8905
220 JXK 0.8904
221 IV2 0.8904
222 2HU 0.8903
223 I3A 0.8903
224 E1K 0.8903
225 2HQ 0.8902
226 CSN 0.8901
227 KMY 0.8900
228 4MU 0.8896
229 DJN 0.8895
230 TYL 0.8894
231 68A 0.8894
232 5RO 0.8891
233 44V 0.8890
234 K4V 0.8890
235 E5X 0.8890
236 KYA 0.8888
237 LZ2 0.8887
238 AMR 0.8887
239 9FE 0.8879
240 1M2 0.8877
241 3GQ 0.8875
242 JA8 0.8870
243 3IT 0.8866
244 4KL 0.8865
245 8NB 0.8865
246 0FK 0.8865
247 7W1 0.8863
248 ABI 0.8859
249 OVV 0.8857
250 4HC 0.8857
251 JXW 0.8857
252 RXA 0.8856
253 N4E 0.8855
254 TGX 0.8855
255 LDP 0.8853
256 CLW 0.8853
257 0N7 0.8852
258 SLS 0.8852
259 AEH 0.8850
260 259 0.8844
261 S0E 0.8844
262 JYB 0.8843
263 B57 0.8843
264 463 0.8842
265 UAN 0.8841
266 67X 0.8841
267 IQ5 0.8841
268 UNJ 0.8839
269 QX4 0.8838
270 AES 0.8838
271 YH7 0.8838
272 AKH 0.8837
273 BPU 0.8835
274 ICO 0.8835
275 HQJ 0.8835
276 JU2 0.8833
277 ANF 0.8832
278 BA5 0.8832
279 36R 0.8832
280 3ZB 0.8831
281 5TY 0.8831
282 5OF 0.8830
283 TRP 0.8830
284 2O6 0.8830
285 428 0.8829
286 F31 0.8828
287 DNF 0.8827
288 ALE 0.8827
289 6FB 0.8826
290 RB0 0.8826
291 EV3 0.8826
292 RB5 0.8826
293 XYL 0.8826
294 LZM 0.8824
295 AA 0.8823
296 K2T 0.8822
297 ESX 0.8822
298 UFO 0.8820
299 RNS 0.8818
300 96R 0.8818
301 BOA 0.8817
302 5NS 0.8816
303 GC3 0.8815
304 LEL 0.8815
305 EUE 0.8815
306 2ZQ 0.8814
307 5WY 0.8813
308 EUG 0.8812
309 CN0 0.8812
310 SYA 0.8811
311 209 0.8810
312 7ME 0.8810
313 2A9 0.8809
314 5RN 0.8809
315 SKF 0.8808
316 FOT 0.8808
317 GAB 0.8806
318 790 0.8802
319 3W8 0.8802
320 N1E 0.8801
321 S0G 0.8801
322 PJW 0.8800
323 Q6T 0.8800
324 42A 0.8800
325 0GZ 0.8800
326 VXX 0.8797
327 K3Q 0.8796
328 DNC 0.8794
329 FBB 0.8794
330 ET2 0.8793
331 EMZ 0.8793
332 5F5 0.8792
333 F12 0.8792
334 30G 0.8792
335 BIK 0.8791
336 8W9 0.8791
337 8H8 0.8791
338 ES5 0.8790
339 5B1 0.8789
340 RM1 0.8788
341 2AK 0.8787
342 LDR 0.8787
343 3BZ 0.8786
344 1FE 0.8786
345 HQD 0.8786
346 ROR 0.8784
347 H33 0.8784
348 7B4 0.8783
349 APZ 0.8782
350 5VM 0.8782
351 H7Y 0.8781
352 795 0.8781
353 C2U 0.8780
354 R9Y 0.8778
355 2AQ 0.8778
356 8XQ 0.8776
357 SKA 0.8775
358 5OO 0.8774
359 5WX 0.8773
360 2FQ 0.8773
361 8HC 0.8773
362 I3E 0.8772
363 N7I 0.8772
364 KJY 0.8772
365 4JT 0.8771
366 GC2 0.8770
367 1P7 0.8769
368 4FS 0.8769
369 PRZ 0.8769
370 9DG 0.8768
371 5QX 0.8766
372 LP8 0.8765
373 03V 0.8764
374 AX3 0.8764
375 QIV 0.8764
376 YRL 0.8764
377 NIZ 0.8764
378 LQ2 0.8762
379 NGT 0.8762
380 2GS 0.8762
381 2JK 0.8762
382 B56 0.8760
383 LZB 0.8760
384 3HB 0.8757
385 9FL 0.8757
386 6HP 0.8757
387 A6W 0.8757
388 DEW 0.8755
389 293 0.8754
390 BM3 0.8753
391 M4S 0.8751
392 BGC 0.8751
393 0FN 0.8750
394 9BF 0.8747
395 M5N 0.8747
396 HLD 0.8747
397 SYV 0.8746
398 V1T 0.8746
399 20J 0.8746
400 GNM 0.8746
401 MO8 0.8746
402 F81 0.8746
403 PYQ 0.8746
404 JP2 0.8745
405 E7S 0.8744
406 5V7 0.8744
407 FYU 0.8744
408 RKV 0.8744
409 VNL 0.8743
410 5GT 0.8742
411 2F6 0.8741
412 9FH 0.8741
413 0CU 0.8740
414 344 0.8740
415 TTL 0.8740
416 IOS 0.8740
417 42C 0.8738
418 JND 0.8736
419 K5W 0.8735
420 9AP 0.8734
421 EPR 0.8734
422 5NU 0.8733
423 TTY 0.8733
424 54G 0.8732
425 IAC 0.8731
426 THA 0.8730
427 AJV 0.8730
428 K17 0.8730
429 0P6 0.8729
430 4NS 0.8729
431 9KZ 0.8729
432 SNG 0.8728
433 HC4 0.8727
434 F4E 0.8727
435 DEE 0.8727
436 4A3 0.8726
437 3FH 0.8725
438 IWT 0.8724
439 OCH 0.8723
440 DK1 0.8721
441 DHB 0.8720
442 ZYR 0.8719
443 COU 0.8719
444 9LI 0.8716
445 5LA 0.8716
446 657 0.8714
447 5M0 0.8714
448 NGW 0.8713
449 NQ 0.8712
450 AZ9 0.8712
451 Y3L 0.8711
452 HJP 0.8710
453 549 0.8710
454 5RG 0.8709
455 XQ0 0.8708
456 TEP 0.8707
457 MUA 0.8707
458 R1P 0.8706
459 MAJ 0.8705
460 MRW 0.8704
461 MS0 0.8703
462 J9T 0.8702
463 DHQ 0.8702
464 BCP 0.8702
465 EA1 0.8701
466 J5I 0.8701
467 B5D 0.8700
468 NVU 0.8699
469 FIX 0.8699
470 GTQ 0.8697
471 FLV 0.8696
472 SRT 0.8696
473 4MB 0.8695
474 GUN 0.8693
475 XQG 0.8692
476 AZA 0.8692
477 GCO 0.8691
478 4JC 0.8690
479 BBK 0.8690
480 HRM 0.8690
481 CIY 0.8689
482 L14 0.8688
483 8MO 0.8687
484 HMH 0.8687
485 7FU 0.8685
486 ZZ8 0.8684
487 CKX 0.8683
488 B60 0.8683
489 ROI 0.8682
490 23A 0.8681
491 HPT 0.8680
492 4HM 0.8680
493 FDB 0.8680
494 TT4 0.8680
495 KTW 0.8679
496 M5H 0.8678
497 HMU 0.8677
498 82I 0.8675
499 I2E 0.8674
500 MYJ 0.8673
501 M3Q 0.8673
502 8WT 0.8672
503 AZG 0.8672
504 GAL 0.8672
505 1X7 0.8671
506 YTX 0.8670
507 SHA 0.8670
508 GLC 0.8667
509 RA7 0.8666
510 G3F 0.8664
511 IOP 0.8664
512 LNR 0.8664
513 ONR 0.8663
514 HHS 0.8662
515 5TZ 0.8662
516 EHM 0.8661
517 BRT 0.8661
518 091 0.8659
519 INO 0.8658
520 M2K 0.8658
521 CPZ 0.8657
522 GLO 0.8655
523 VFG 0.8655
524 XM5 0.8653
525 ZPF 0.8650
526 LYL 0.8649
527 XAN 0.8648
528 JF1 0.8647
529 6RQ 0.8647
530 X09 0.8647
531 DHC 0.8647
532 K48 0.8646
533 OA3 0.8644
534 ASC 0.8644
535 1AL 0.8642
536 G3E 0.8642
537 0F9 0.8642
538 DMD 0.8641
539 NBV 0.8640
540 42J 0.8639
541 32X 0.8639
542 3HM 0.8637
543 5XB 0.8637
544 GT0 0.8637
545 SE2 0.8636
546 60L 0.8636
547 CTS 0.8634
548 39U 0.8632
549 L46 0.8632
550 L5V 0.8632
551 I4D 0.8629
552 BPN 0.8628
553 DHR 0.8628
554 069 0.8628
555 5MK 0.8625
556 TYR 0.8624
557 DIN 0.8622
558 GZ8 0.8622
559 LI6 0.8621
560 V55 0.8620
561 9TZ 0.8617
562 F34 0.8617
563 BZ2 0.8616
564 NOJ 0.8615
565 NGO 0.8615
566 X0T 0.8614
567 NF3 0.8613
568 X0W 0.8613
569 CUW 0.8612
570 L07 0.8611
571 7I2 0.8610
572 CTL 0.8610
573 EN1 0.8609
574 ESI 0.8607
575 QAT 0.8606
576 UNC 0.8605
577 FF2 0.8605
578 HNT 0.8604
579 LFQ 0.8603
580 P9P 0.8601
581 XIY 0.8600
582 IJZ 0.8599
583 7WR 0.8599
584 PXL 0.8599
585 L1T 0.8598
586 0XT 0.8597
587 QAS 0.8597
588 ASO 0.8595
589 5MB 0.8594
590 535 0.8590
591 2FX 0.8590
592 JTH 0.8587
593 CFF 0.8584
594 GF4 0.8583
595 PLP 0.8581
596 A29 0.8580
597 OTR 0.8578
598 NMJ 0.8577
599 2HO 0.8576
600 ESP 0.8576
601 3AB 0.8575
602 K37 0.8574
603 6FZ 0.8573
604 Q07 0.8571
605 DX3 0.8570
606 DE5 0.8568
607 NCD 0.8568
608 NPO 0.8567
609 4CS 0.8565
610 2F8 0.8565
611 GOJ 0.8564
612 L22 0.8563
613 HJ7 0.8561
614 ZZT 0.8560
615 MNP 0.8560
616 6CS 0.8560
617 2K8 0.8560
618 B53 0.8560
619 Y0V 0.8559
620 FER 0.8559
621 492 0.8550
622 F5C 0.8550
623 9UL 0.8548
624 5VJ 0.8546
625 XX3 0.8544
626 5WN 0.8543
627 PHB 0.8540
628 ICB 0.8535
629 FRU 0.8530
630 53C 0.8529
631 K32 0.8527
632 2HC 0.8520
633 K97 0.8511
634 4XS 0.8503
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U1W; Ligand: 3HA; 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: 1u1w.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1U1W; Ligand: 3HA; 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: 1u1w.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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