Receptor
PDB id Resolution Class Description Source Keywords
3ENV 2 Å EC: 5.3.1.6 SUBSTRATE AND INHIBITOR COMPLEXES OF RIBOSE 5-PHOSPHATE ISOM VIBRIO VULNIFICUS YJ016 VIBRIO VULNIFICUS RIBOSE 5-PHOSPHATE ARABINOSE 5-PHOSPHATE ISOMERASE
Ref.: CRYSTAL STRUCTURES OF SUBSTRATE AND INHIBITOR COMPL RIBOSE 5-PHOSPHATE ISOMERASE A FROM VIBRIO VULNIFIC MOL.CELLS V. 27 99 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABF A:1269;
B:1269;
Valid;
Valid;
none;
none;
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230.11 C5 H11 O8 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ENV 2 Å EC: 5.3.1.6 SUBSTRATE AND INHIBITOR COMPLEXES OF RIBOSE 5-PHOSPHATE ISOM VIBRIO VULNIFICUS YJ016 VIBRIO VULNIFICUS RIBOSE 5-PHOSPHATE ARABINOSE 5-PHOSPHATE ISOMERASE
Ref.: CRYSTAL STRUCTURES OF SUBSTRATE AND INHIBITOR COMPL RIBOSE 5-PHOSPHATE ISOMERASE A FROM VIBRIO VULNIFIC MOL.CELLS V. 27 99 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3ENW - 5RP C5 H11 O8 P C([C@H]([C....
2 3ENV - ABF C5 H11 O8 P C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1M0S - CIT C6 H8 O7 C(C(=O)O)C....
2 3ENW - 5RP C5 H11 O8 P C([C@H]([C....
3 3ENV - ABF C5 H11 O8 P C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UJ6 Ki = 0.89 mM A5P C5 H13 O8 P C([C@H]([C....
2 1UJ5 Ki = 0.89 mM 5RP C5 H11 O8 P C([C@H]([C....
3 1M0S - CIT C6 H8 O7 C(C(=O)O)C....
4 1LK7 - DER C4 H9 O8 P C([C@@H]([....
5 3ENW - 5RP C5 H11 O8 P C([C@H]([C....
6 3ENV - ABF C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ABF; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 RP5 1 1
2 ABF 1 1
3 HSX 1 1
4 BGP 0.8 0.902439
5 M6P 0.8 0.902439
6 G6P 0.8 0.902439
7 BG6 0.8 0.902439
8 M6D 0.8 0.902439
9 A6P 0.8 0.902439
10 AHG 0.676471 0.880952
11 4R1 0.634146 0.755102
12 GLP 0.634146 0.755102
13 RF5 0.615385 0.883721
14 50A 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 4QY 0.553191 0.685185
18 16G 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 RI2 0.534884 0.95
22 PRP 0.5 0.975
23 G16 0.5 0.860465
24 D6G 0.5 0.860465
25 N 0.47619 0.860465
26 PPC 0.469388 0.906977
27 RIB 0.441176 0.675
28 FUB 0.441176 0.675
29 AHR 0.441176 0.675
30 BDR 0.441176 0.675
31 Z6J 0.441176 0.675
32 32O 0.441176 0.675
33 IRN 0.425926 0.606557
34 QIF 0.425532 0.860465
35 FGR 0.410714 0.655172
36 TA6 0.404255 0.906977
37 AHR AHR 0.404255 0.690476
38 F6P 0.404255 0.906977
39 BNX 0.4 0.880952
40 ALX 0.4 0.880952
Similar Ligands (3D)
Ligand no: 1; Ligand: ABF; Similar ligands found: 505
No: Ligand Similarity coefficient
1 8U3 0.9478
2 5WN 0.9399
3 MP5 0.9318
4 RP3 0.9301
5 TZP 0.9253
6 61M 0.9253
7 1X4 0.9215
8 QH3 0.9213
9 ESX 0.9212
10 PLR 0.9205
11 BZ2 0.9199
12 YF3 0.9191
13 Q03 0.9187
14 P80 0.9180
15 EVF 0.9179
16 2JJ 0.9179
17 SG2 0.9177
18 PLP 0.9165
19 0HN 0.9146
20 6DP 0.9145
21 DHY 0.9135
22 ESP 0.9132
23 1F1 0.9129
24 PMP 0.9128
25 GO8 0.9124
26 QBM 0.9120
27 4BY 0.9117
28 E4P 0.9116
29 ITW 0.9107
30 MES 0.9104
31 JAW 0.9103
32 P7Y 0.9095
33 HJH 0.9094
34 YTX 0.9092
35 A5P 0.9090
36 IOS 0.9089
37 0HO 0.9087
38 MMS 0.9084
39 36E 0.9083
40 2ZM 0.9073
41 GWM 0.9073
42 6NT 0.9062
43 4Z9 0.9060
44 9BF 0.9050
45 5RP 0.9043
46 B41 0.9042
47 TU0 0.9039
48 MD6 0.9038
49 6KT 0.9037
50 GFP 0.9034
51 14W 0.9033
52 TZM 0.9032
53 F06 0.9031
54 ALE 0.9031
55 JDN 0.9030
56 DHC 0.9030
57 6Q3 0.9027
58 IOP 0.9026
59 DAH 0.9025
60 STT 0.9025
61 YOF 0.9020
62 F98 0.9020
63 TSR 0.9015
64 BL0 0.9015
65 CXH 0.9014
66 R5P 0.9014
67 F52 0.9013
68 L21 0.9013
69 3C4 0.9010
70 15N 0.9010
71 EXD 0.9007
72 SBK 0.9006
73 XIZ 0.9005
74 3NY 0.9005
75 CXP 0.9004
76 XRS 0.8996
77 3IL 0.8994
78 3HP 0.8994
79 ABI 0.8992
80 B85 0.8992
81 NQH 0.8991
82 3A9 0.8990
83 V1T 0.8984
84 R2P 0.8983
85 MAJ 0.8983
86 TCA 0.8978
87 X1P 0.8976
88 AX3 0.8976
89 FF2 0.8975
90 6FZ 0.8975
91 DTR 0.8974
92 KYN 0.8973
93 263 0.8972
94 CMU 0.8971
95 2HC 0.8969
96 2O6 0.8967
97 3LJ 0.8963
98 ZON 0.8963
99 4I8 0.8963
100 FWD 0.8962
101 6HP 0.8961
102 TOH 0.8958
103 9F8 0.8955
104 CWD 0.8955
105 MXD 0.8953
106 363 0.8951
107 QUS 0.8950
108 SKF 0.8949
109 R20 0.8949
110 1PS 0.8948
111 TYL 0.8947
112 BRH 0.8945
113 F1P 0.8943
114 KTW 0.8942
115 LTN 0.8942
116 QMS 0.8939
117 PXP 0.8938
118 N7I 0.8938
119 XQI 0.8934
120 SYC 0.8933
121 3PG 0.8933
122 FK8 0.8931
123 ARG 0.8931
124 SEP 0.8930
125 SYE 0.8929
126 GZ2 0.8928
127 2LT 0.8928
128 KPA 0.8927
129 PZP 0.8927
130 XCG 0.8923
131 S0W 0.8922
132 N2M 0.8920
133 N9J 0.8919
134 IYR 0.8919
135 PO6 0.8918
136 TRP 0.8918
137 XRX 0.8917
138 0W1 0.8913
139 HC4 0.8913
140 NAG 0.8912
141 BWD 0.8910
142 EUE 0.8908
143 7ZL 0.8907
144 HL4 0.8904
145 6J5 0.8903
146 P9E 0.8903
147 P81 0.8902
148 A5E 0.8902
149 FOM 0.8901
150 TYR 0.8900
151 TB8 0.8900
152 TMG 0.8899
153 I2E 0.8894
154 ICB 0.8894
155 HMS 0.8893
156 J0Z 0.8893
157 ZEC 0.8892
158 D5X 0.8892
159 PPY 0.8889
160 MSR 0.8889
161 ESI 0.8888
162 9W5 0.8887
163 LDP 0.8885
164 PHE 0.8884
165 SAF 0.8882
166 CFA 0.8881
167 PBA 0.8881
168 DTY 0.8880
169 1BN 0.8879
170 L22 0.8879
171 JOV 0.8878
172 DER 0.8878
173 88L 0.8878
174 MQB 0.8877
175 M5E 0.8876
176 TYE 0.8874
177 428 0.8874
178 M3Q 0.8873
179 G1P 0.8872
180 AMQ 0.8869
181 XDK 0.8869
182 1FD 0.8867
183 F1X 0.8867
184 LIP 0.8861
185 HA5 0.8861
186 EGR 0.8860
187 CLU 0.8860
188 DEZ 0.8859
189 4NS 0.8858
190 SHI 0.8857
191 NPA 0.8855
192 HCI 0.8854
193 HPS 0.8854
194 AOT 0.8854
195 5OO 0.8853
196 ENO 0.8853
197 4HP 0.8853
198 GNW 0.8853
199 SG3 0.8853
200 M6H 0.8852
201 0QW 0.8852
202 EN1 0.8851
203 IAC 0.8850
204 S0E 0.8849
205 NVU 0.8849
206 6HO 0.8849
207 EYV 0.8848
208 AAN 0.8848
209 DPN 0.8848
210 GO2 0.8846
211 1L5 0.8846
212 BNL 0.8844
213 ARP 0.8844
214 8HC 0.8844
215 HPP 0.8843
216 PMF 0.8843
217 OMD 0.8842
218 OSE 0.8842
219 RES 0.8841
220 8W9 0.8840
221 UN1 0.8839
222 PPT 0.8839
223 AHC 0.8839
224 NFA 0.8838
225 AEH 0.8837
226 LNR 0.8834
227 657 0.8833
228 0FK 0.8832
229 CLT 0.8832
230 HFA 0.8831
231 GJK 0.8830
232 0JD 0.8829
233 1QV 0.8828
234 C82 0.8828
235 PFF 0.8827
236 AMR 0.8826
237 4XF 0.8826
238 CIY 0.8824
239 68A 0.8824
240 OOG 0.8823
241 4OG 0.8822
242 EOL 0.8822
243 HIC 0.8820
244 12T 0.8819
245 SNU 0.8818
246 2FX 0.8817
247 MPV 0.8816
248 HWD 0.8812
249 YIE 0.8811
250 HQ9 0.8811
251 F90 0.8809
252 ASC 0.8809
253 SDF 0.8805
254 TOM 0.8802
255 MF3 0.8802
256 UA5 0.8801
257 A29 0.8801
258 DI6 0.8800
259 FUZ 0.8798
260 P58 0.8796
261 TYC 0.8796
262 PMV 0.8795
263 HHH 0.8794
264 AZM 0.8794
265 8NB 0.8793
266 57O 0.8792
267 IPD 0.8791
268 BZE 0.8790
269 42J 0.8790
270 LSQ 0.8787
271 6J9 0.8784
272 H7Y 0.8784
273 HPT 0.8783
274 33S 0.8782
275 NFM 0.8781
276 AKG 0.8781
277 M1Z 0.8780
278 R1P 0.8779
279 FER 0.8779
280 5NI 0.8779
281 Q9Z 0.8777
282 APS 0.8775
283 4TP 0.8774
284 IL5 0.8772
285 MNP 0.8770
286 1VQ 0.8768
287 JF1 0.8768
288 2FM 0.8767
289 8XL 0.8766
290 4LW 0.8764
291 3VX 0.8764
292 DXP 0.8758
293 ZME 0.8757
294 LX1 0.8757
295 9YT 0.8756
296 SLY 0.8756
297 S7A 0.8755
298 TL6 0.8755
299 RLG 0.8754
300 AEG 0.8754
301 X48 0.8753
302 YO5 0.8752
303 4XS 0.8752
304 BPY 0.8751
305 9ZE 0.8750
306 1A7 0.8750
307 O45 0.8749
308 4BF 0.8748
309 MPK 0.8747
310 2K8 0.8745
311 GLU 0.8744
312 M5H 0.8743
313 8NX 0.8739
314 EXG 0.8737
315 78U 0.8735
316 ZIQ 0.8733
317 7MX 0.8733
318 API 0.8732
319 PHI 0.8732
320 YPN 0.8731
321 CH8 0.8730
322 FPL 0.8729
323 XYH 0.8729
324 EYJ 0.8728
325 9PL 0.8728
326 PRA 0.8727
327 S24 0.8727
328 EV0 0.8727
329 N91 0.8725
330 4MB 0.8725
331 92K 0.8724
332 MJ5 0.8722
333 LVD 0.8722
334 EQW 0.8721
335 HXY 0.8721
336 C53 0.8720
337 R52 0.8720
338 S2P 0.8719
339 PH3 0.8718
340 6TZ 0.8718
341 4XV 0.8718
342 BP7 0.8718
343 BNF 0.8716
344 ISA 0.8715
345 PQT 0.8714
346 K7M 0.8713
347 JZA 0.8712
348 LL1 0.8712
349 ZYR 0.8712
350 9FE 0.8709
351 X04 0.8707
352 DNF 0.8706
353 B2J 0.8706
354 3LR 0.8705
355 NNH 0.8704
356 4WF 0.8704
357 7I2 0.8704
358 5OF 0.8703
359 56D 0.8702
360 9UL 0.8702
361 URO 0.8702
362 505 0.8698
363 SLS 0.8696
364 790 0.8692
365 E1T 0.8692
366 NOK 0.8691
367 5LD 0.8689
368 VXX 0.8689
369 PCS 0.8688
370 NPL 0.8688
371 8ZE 0.8686
372 5TY 0.8686
373 AHN 0.8686
374 CTE 0.8683
375 JND 0.8682
376 8WT 0.8680
377 3IB 0.8678
378 3YP 0.8677
379 MHO 0.8677
380 THM 0.8676
381 CH9 0.8675
382 DHM 0.8675
383 HPV 0.8674
384 F6R 0.8674
385 ZYQ 0.8673
386 5SP 0.8672
387 TLM 0.8670
388 LJ3 0.8668
389 N8Y 0.8668
390 ATX 0.8664
391 ZEA 0.8664
392 4V2 0.8664
393 1VK 0.8663
394 FHC 0.8663
395 4LV 0.8662
396 0A9 0.8661
397 B40 0.8660
398 HJ8 0.8659
399 SSC 0.8658
400 92P 0.8657
401 FF3 0.8655
402 JRB 0.8654
403 268 0.8651
404 UFV 0.8650
405 36M 0.8649
406 DIR 0.8648
407 4FE 0.8647
408 QMP 0.8647
409 YZM 0.8646
410 M78 0.8645
411 3EB 0.8644
412 S8V 0.8643
413 KYA 0.8643
414 P0P 0.8643
415 R9J 0.8642
416 KTA 0.8641
417 9KH 0.8640
418 I4D 0.8640
419 3B4 0.8639
420 3D1 0.8638
421 6ZX 0.8637
422 BB4 0.8637
423 HA6 0.8637
424 27B 0.8635
425 J9Y 0.8629
426 3QO 0.8627
427 HHI 0.8627
428 RKV 0.8625
429 PNP 0.8623
430 ANC 0.8622
431 CS2 0.8622
432 Q04 0.8617
433 NLA 0.8616
434 RCV 0.8615
435 LJ4 0.8614
436 GCO 0.8613
437 AS3 0.8613
438 EQA 0.8613
439 MOK 0.8612
440 M3E 0.8611
441 1Z6 0.8611
442 NCT 0.8610
443 UFO 0.8609
444 FTV 0.8604
445 B3U 0.8603
446 B21 0.8601
447 R9Y 0.8599
448 HBI 0.8599
449 ONL 0.8598
450 DCZ 0.8597
451 GRX 0.8596
452 GDE 0.8596
453 Y4L 0.8595
454 RVE 0.8594
455 N1E 0.8593
456 3CR 0.8593
457 CIR 0.8591
458 7R4 0.8590
459 AY4 0.8590
460 4FP 0.8589
461 B86 0.8589
462 2HU 0.8589
463 DAR 0.8587
464 HBO 0.8583
465 DLT 0.8582
466 TMC 0.8582
467 NYL 0.8581
468 RUJ 0.8581
469 EUH 0.8580
470 3VW 0.8578
471 C2Y 0.8577
472 JP2 0.8577
473 PRZ 0.8576
474 F34 0.8576
475 HNL 0.8575
476 REL 0.8569
477 K3Q 0.8569
478 FCD 0.8568
479 54F 0.8568
480 3Y7 0.8563
481 KTJ 0.8560
482 ONH 0.8559
483 9VQ 0.8557
484 2IT 0.8556
485 M74 0.8554
486 5NS 0.8554
487 S2G 0.8551
488 0DN 0.8550
489 EMZ 0.8550
490 VM1 0.8546
491 SRO 0.8546
492 S8D 0.8545
493 TSS 0.8545
494 M4E 0.8541
495 BVA 0.8540
496 HX8 0.8539
497 N2Y 0.8539
498 SOL 0.8537
499 50C 0.8536
500 LEL 0.8535
501 HLP 0.8532
502 H4B 0.8532
503 DUR 0.8531
504 6C5 0.8527
505 264 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ENV; Ligand: ABF; 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: 3env.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ENV; Ligand: ABF; 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: 3env.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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