Receptor
PDB id Resolution Class Description Source Keywords
2H8Z 1.42 Å EC: 1.6.99.1 XENOBIOTIC REDUCTASE A IN COMPLEX WITH 8-HYDROXYCOUMARIN PSEUDOMONAS PUTIDA BETA-ALPHA BARREL OXIDOREDUCTASE
Ref.: XENOBIOTIC REDUCTASE A IN THE DEGRADATION OF QUINOL PSEUDOMONAS PUTIDA 86: PHYSIOLOGICAL FUNCTION, STRU MECHANISM OF 8-HYDROXYCOUMARIN REDUCTION. J.MOL.BIOL. V. 361 140 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8CM A:801;
A:802;
A:803;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 2.5 uM
162.142 C9 H6 O3 c1cc2...
FMN A:1401;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 A:1501;
A:1502;
A:1503;
A:1504;
A:1505;
A:1506;
A:1507;
A:1508;
A:1509;
A:1510;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H8Z 1.42 Å EC: 1.6.99.1 XENOBIOTIC REDUCTASE A IN COMPLEX WITH 8-HYDROXYCOUMARIN PSEUDOMONAS PUTIDA BETA-ALPHA BARREL OXIDOREDUCTASE
Ref.: XENOBIOTIC REDUCTASE A IN THE DEGRADATION OF QUINOL PSEUDOMONAS PUTIDA 86: PHYSIOLOGICAL FUNCTION, STRU MECHANISM OF 8-HYDROXYCOUMARIN REDUCTION. J.MOL.BIOL. V. 361 140 2006
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2H90 Kd = 5 uM COU C9 H6 O2 c1ccc2c(c1....
2 5CPO - XEN C10 H18 N2 O CCCCN1CCCC....
3 3L5M Kd = 8.4 uM COU C9 H6 O2 c1ccc2c(c1....
4 3N14 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3L67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3L68 Kd = 69.2 uM COU C9 H6 O2 c1ccc2c(c1....
7 5N6Q - 8OZ C9 H8 O2 C=C(c1cccc....
8 5CPN - 531 C14 H19 N O CC(=O)[C@H....
9 5CPM Kd = 27 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 3L65 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2H8X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 3L66 Kd = 20.9 uM COU C9 H6 O2 c1ccc2c(c1....
13 3L5L - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 3N19 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 2H8Z Kd = 2.5 uM 8CM C9 H6 O3 c1cc2c(c(c....
16 5CPL Kd < 25 uM 536 C13 H16 N2 O c1ccc(cc1)....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2H90 Kd = 5 uM COU C9 H6 O2 c1ccc2c(c1....
2 5CPO - XEN C10 H18 N2 O CCCCN1CCCC....
3 3L5M Kd = 8.4 uM COU C9 H6 O2 c1ccc2c(c1....
4 3N14 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3L67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3L68 Kd = 69.2 uM COU C9 H6 O2 c1ccc2c(c1....
7 5N6Q - 8OZ C9 H8 O2 C=C(c1cccc....
8 5CPN - 531 C14 H19 N O CC(=O)[C@H....
9 5CPM Kd = 27 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 3L65 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2H8X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 3L66 Kd = 20.9 uM COU C9 H6 O2 c1ccc2c(c1....
13 3L5L - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 3N19 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 2H8Z Kd = 2.5 uM 8CM C9 H6 O3 c1cc2c(c(c....
16 5CPL Kd < 25 uM 536 C13 H16 N2 O c1ccc(cc1)....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2H90 Kd = 5 uM COU C9 H6 O2 c1ccc2c(c1....
2 5CPO - XEN C10 H18 N2 O CCCCN1CCCC....
3 3L5M Kd = 8.4 uM COU C9 H6 O2 c1ccc2c(c1....
4 3N14 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3L67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3L68 Kd = 69.2 uM COU C9 H6 O2 c1ccc2c(c1....
7 5N6Q - 8OZ C9 H8 O2 C=C(c1cccc....
8 5CPN - 531 C14 H19 N O CC(=O)[C@H....
9 5CPM Kd = 27 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 3L65 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2H8X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 3L66 Kd = 20.9 uM COU C9 H6 O2 c1ccc2c(c1....
13 3L5L - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 3N19 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 2H8Z Kd = 2.5 uM 8CM C9 H6 O3 c1cc2c(c(c....
16 5CPL Kd < 25 uM 536 C13 H16 N2 O c1ccc(cc1)....
17 5OCS - CIT C6 H8 O7 C(C(=O)O)C....
18 3KRZ - TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
19 3KRU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 3HGJ - HBA C7 H6 O2 c1cc(ccc1C....
21 3HF3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8CM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8CM 1 1
Ligand no: 2; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: 8CM; Similar ligands found: 1133
No: Ligand Similarity coefficient
1 0P6 1.0000
2 KUF 1.0000
3 CWS 0.9986
4 3Z8 0.9825
5 G3F 0.9817
6 GCS 0.9783
7 BGC 0.9783
8 APZ 0.9776
9 8S0 0.9764
10 KT7 0.9761
11 N8Y 0.9760
12 24W 0.9753
13 B60 0.9751
14 COU 0.9744
15 XHP 0.9742
16 1NP 0.9742
17 0FO 0.9741
18 BEA 0.9739
19 1SQ 0.9737
20 1LM 0.9728
21 5RG 0.9728
22 OTW 0.9727
23 1P7 0.9725
24 ES1 0.9722
25 B62 0.9722
26 1LQ 0.9720
27 MAQ 0.9717
28 2D0 0.9716
29 44W 0.9715
30 OCH 0.9713
31 DQU 0.9712
32 GLC 0.9712
33 5Q0 0.9706
34 JBH 0.9706
35 12Q 0.9705
36 03V 0.9698
37 6ME 0.9698
38 R8V 0.9696
39 JB5 0.9692
40 86J 0.9688
41 5IQ 0.9688
42 MVN 0.9686
43 4YS 0.9686
44 QX4 0.9686
45 2AQ 0.9686
46 O72 0.9685
47 5SG 0.9684
48 4FS 0.9683
49 2HQ 0.9680
50 ES5 0.9677
51 H42 0.9676
52 GTQ 0.9675
53 JPZ 0.9673
54 N5J 0.9669
55 TTL 0.9669
56 DIN 0.9666
57 A7W 0.9662
58 IV2 0.9659
59 5QX 0.9653
60 BDP 0.9652
61 ISN 0.9647
62 HQY 0.9643
63 M1Q 0.9639
64 CWM 0.9630
65 4XH 0.9628
66 HQT 0.9624
67 44V 0.9620
68 QBK 0.9618
69 Q24 0.9616
70 AZ8 0.9616
71 AZ9 0.9616
72 HH8 0.9611
73 KKN 0.9610
74 ES0 0.9607
75 7W1 0.9604
76 Q88 0.9600
77 MRW 0.9599
78 J9W 0.9596
79 0N7 0.9593
80 AJ2 0.9588
81 G3E 0.9586
82 PYQ 0.9585
83 5QY 0.9585
84 MUA 0.9584
85 32X 0.9584
86 5M0 0.9583
87 DPZ 0.9581
88 54G 0.9580
89 M6N 0.9576
90 AQO 0.9572
91 AJV 0.9572
92 M5K 0.9570
93 6CS 0.9570
94 3PF 0.9569
95 SKA 0.9564
96 URC 0.9563
97 MEW 0.9560
98 4HC 0.9555
99 5B1 0.9554
100 2EC 0.9554
101 PH2 0.9551
102 5WV 0.9549
103 2FQ 0.9548
104 UNC 0.9545
105 ADZ 0.9545
106 D48 0.9540
107 RM1 0.9540
108 5MK 0.9533
109 GAL 0.9530
110 7B4 0.9529
111 MQN 0.9527
112 PE0 0.9522
113 4JQ 0.9522
114 SE2 0.9520
115 2AK 0.9516
116 7W4 0.9512
117 XQ0 0.9511
118 ES7 0.9509
119 9MG 0.9509
120 PRF 0.9509
121 PXL 0.9507
122 8WT 0.9506
123 E7Z 0.9504
124 0W8 0.9504
125 DBH 0.9501
126 SX1 0.9500
127 TOF 0.9500
128 HQD 0.9496
129 JBQ 0.9496
130 3F0 0.9494
131 DHQ 0.9494
132 3HA 0.9493
133 3IT 0.9489
134 MWP 0.9488
135 FOT 0.9487
136 QUZ 0.9487
137 LGC 0.9485
138 4M4 0.9484
139 FE DB1 0.9483
140 495 0.9482
141 J5I 0.9480
142 NPY 0.9480
143 6M9 0.9479
144 0TU 0.9476
145 3M0 0.9475
146 G6D 0.9471
147 M1A 0.9470
148 3WA 0.9467
149 92K 0.9465
150 DOB 0.9463
151 XAZ 0.9462
152 HHR 0.9461
153 4NC 0.9460
154 67N 0.9459
155 MT0 0.9459
156 LT2 0.9459
157 UFO 0.9459
158 EA1 0.9457
159 7HQ 0.9456
160 M0W 0.9455
161 I3A 0.9452
162 9TZ 0.9450
163 SHG 0.9450
164 GCU 0.9450
165 BTY 0.9449
166 V55 0.9446
167 GDE 0.9445
168 HJP 0.9444
169 SVN 0.9443
170 3ID 0.9442
171 KJY 0.9442
172 NDM 0.9439
173 5OB 0.9438
174 15L 0.9437
175 5NU 0.9437
176 IJZ 0.9436
177 ZYR 0.9435
178 CLZ 0.9434
179 KJH 0.9434
180 BZX 0.9433
181 25W 0.9432
182 8TX 0.9430
183 B57 0.9428
184 TTY 0.9427
185 FA0 0.9424
186 RXA 0.9422
187 HLZ 0.9422
188 JAE 0.9422
189 B55 0.9422
190 4Z4 0.9421
191 DHB 0.9421
192 4M0 0.9420
193 ABV 0.9420
194 14O 0.9420
195 4YO 0.9411
196 EQT 0.9411
197 4JT 0.9410
198 FDB 0.9410
199 NQ 0.9408
200 N2I 0.9408
201 1XN 0.9407
202 FBB 0.9407
203 5RO 0.9406
204 LZM 0.9405
205 5H1 0.9404
206 HZQ 0.9403
207 F05 0.9403
208 97T 0.9403
209 G5V 0.9402
210 SYV 0.9402
211 39O 0.9399
212 5CU 0.9398
213 BHA 0.9397
214 7VJ 0.9397
215 TH7 0.9396
216 KJU 0.9396
217 75K 0.9394
218 F0J 0.9393
219 GUN 0.9392
220 F60 0.9387
221 4AA 0.9386
222 JUG 0.9385
223 DMD 0.9385
224 CTL 0.9385
225 LKA 0.9385
226 7VS 0.9384
227 JLZ 0.9383
228 0RW 0.9382
229 J9Q 0.9382
230 INO 0.9381
231 NOJ 0.9381
232 VK3 0.9380
233 PQ0 0.9380
234 1DW 0.9380
235 BZ3 0.9379
236 9DG 0.9379
237 Q6T 0.9377
238 M2K 0.9377
239 8ZE 0.9376
240 42A 0.9375
241 AZA 0.9375
242 NNO 0.9375
243 IGA 0.9373
244 SOR 0.9371
245 ZVO 0.9370
246 CFP 0.9368
247 VNL 0.9367
248 5MB 0.9367
249 DNF 0.9365
250 HKD 0.9365
251 M1H 0.9365
252 CFF 0.9364
253 4A3 0.9363
254 DBJ 0.9360
255 4MU 0.9359
256 K2T 0.9359
257 HMH 0.9359
258 Q71 0.9359
259 BHO 0.9358
260 37T 0.9357
261 SXS 0.9357
262 ISZ 0.9357
263 4ME 0.9356
264 SAL 0.9355
265 GXY 0.9354
266 EVA 0.9353
267 M0Q 0.9352
268 9EW 0.9352
269 HPA 0.9351
270 6AI 0.9350
271 ICO 0.9349
272 NIZ 0.9348
273 XM0 0.9348
274 G1O 0.9347
275 173 0.9347
276 MO8 0.9344
277 9KT 0.9344
278 ADE 0.9344
279 DRL 0.9342
280 FHB 0.9339
281 TGX 0.9337
282 5MI 0.9335
283 6MP 0.9335
284 6M4 0.9334
285 0FK 0.9333
286 2K4 0.9333
287 ES9 0.9333
288 680 0.9332
289 8W9 0.9331
290 XXR 0.9331
291 TEP 0.9330
292 XX2 0.9326
293 DHK 0.9326
294 2AL 0.9326
295 9R5 0.9326
296 VXX 0.9326
297 5JQ 0.9325
298 5XC 0.9325
299 BTE 0.9323
300 GM7 0.9322
301 XAN 0.9322
302 HHA 0.9320
303 GJS 0.9320
304 15E 0.9319
305 3HM 0.9318
306 8HC 0.9317
307 5RN 0.9317
308 20J 0.9317
309 C2U 0.9315
310 10L 0.9315
311 5WX 0.9315
312 MYJ 0.9314
313 BP1 0.9313
314 8IG 0.9311
315 2CK 0.9309
316 SHA 0.9309
317 SWA 0.9309
318 R9Y 0.9309
319 FDR 0.9308
320 2BG 0.9306
321 9FL 0.9304
322 MR1 0.9303
323 A29 0.9302
324 7NI 0.9302
325 93K 0.9301
326 NDH 0.9300
327 AX7 0.9299
328 AJY 0.9297
329 7WA 0.9297
330 BE2 0.9297
331 2H5 0.9297
332 KDV 0.9296
333 SRO 0.9295
334 1WG 0.9295
335 39A 0.9294
336 ORO 0.9294
337 GCB 0.9294
338 2HO 0.9293
339 Q77 0.9293
340 11S 0.9292
341 UAN 0.9291
342 XIY 0.9291
343 4CS 0.9291
344 7B3 0.9290
345 CHB 0.9288
346 141 0.9288
347 FLV 0.9287
348 FK1 0.9287
349 B5D 0.9285
350 DBX 0.9285
351 HLR 0.9284
352 XYP 0.9283
353 ET2 0.9281
354 NID 0.9280
355 CFI 0.9280
356 H4N 0.9277
357 9DA 0.9276
358 DX4 0.9276
359 42C 0.9275
360 P9P 0.9275
361 270 0.9275
362 226 0.9274
363 5WY 0.9273
364 9HX 0.9272
365 A2F 0.9270
366 5GU 0.9269
367 OXC 0.9269
368 LXC 0.9269
369 JG8 0.9268
370 GTR 0.9268
371 GZ8 0.9264
372 PZI 0.9264
373 AKH 0.9263
374 209 0.9263
375 INE 0.9263
376 36R 0.9262
377 Q7A 0.9260
378 CLW 0.9260
379 ES2 0.9259
380 290 0.9259
381 QSB 0.9256
382 5JL 0.9255
383 LI6 0.9255
384 FYU 0.9254
385 SKM 0.9253
386 GRE 0.9252
387 1P8 0.9252
388 ES6 0.9252
389 B53 0.9251
390 DOR 0.9246
391 EXO 0.9246
392 I6G 0.9245
393 2CQ 0.9245
394 GVG 0.9245
395 JTH 0.9243
396 3HB 0.9242
397 BOA 0.9238
398 0JD 0.9237
399 3DO 0.9237
400 FGZ 0.9236
401 JXN 0.9236
402 ES4 0.9235
403 GAB 0.9234
404 8GC 0.9234
405 1PT 0.9233
406 GYE 0.9232
407 QAT 0.9231
408 7MU 0.9231
409 LDP 0.9231
410 4SV 0.9229
411 8WO 0.9228
412 P92 0.9227
413 28N 0.9227
414 3U4 0.9225
415 EYK 0.9224
416 WOO 0.9223
417 HIS 0.9223
418 ESI 0.9219
419 7HP 0.9218
420 VGD 0.9217
421 6M1 0.9216
422 6VD 0.9216
423 9TW 0.9213
424 6AP 0.9212
425 2LY 0.9211
426 AHR 0.9211
427 3Z7 0.9209
428 7ZE 0.9208
429 JBK 0.9208
430 GZL 0.9206
431 SOE 0.9206
432 Z5P 0.9204
433 3NT 0.9204
434 150 0.9203
435 5VM 0.9202
436 9CA 0.9202
437 QAS 0.9201
438 YH7 0.9201
439 NTZ 0.9200
440 GIO 0.9200
441 34D 0.9199
442 PFB 0.9199
443 QPR 0.9198
444 JND 0.9198
445 CH9 0.9195
446 LSA 0.9194
447 2MI 0.9193
448 H33 0.9192
449 3NY 0.9188
450 6F0 0.9187
451 3AB 0.9187
452 0HN 0.9186
453 D07 0.9185
454 DEE 0.9185
455 92P 0.9183
456 AW5 0.9183
457 2ZQ 0.9182
458 JKE 0.9182
459 8OZ 0.9181
460 F12 0.9180
461 BCP 0.9180
462 1IT 0.9177
463 ALL 0.9177
464 PEY 0.9176
465 F9Y 0.9176
466 069 0.9176
467 8H8 0.9176
468 PM6 0.9173
469 1M2 0.9171
470 EJZ 0.9170
471 BCU 0.9169
472 15N 0.9169
473 6GU 0.9169
474 ISE 0.9169
475 GLA 0.9168
476 F31 0.9168
477 AZG 0.9167
478 HH5 0.9166
479 DIU 0.9166
480 MS9 0.9165
481 2ZM 0.9165
482 53C 0.9163
483 C2Y 0.9162
484 SWD 0.9162
485 I1E 0.9161
486 82I 0.9161
487 5HN 0.9161
488 ODO 0.9160
489 K5W 0.9159
490 OA3 0.9159
491 CTS 0.9159
492 12B 0.9159
493 2K8 0.9157
494 1XM 0.9155
495 0HO 0.9154
496 TPA 0.9153
497 4XR 0.9153
498 IHB 0.9152
499 6NT 0.9152
500 RAM 0.9151
501 1KP 0.9150
502 OVV 0.9148
503 QSH 0.9148
504 8NY 0.9147
505 NPO 0.9147
506 FUL 0.9147
507 F9P 0.9146
508 G2F 0.9144
509 3MG 0.9144
510 23J 0.9142
511 94W 0.9140
512 PXM 0.9140
513 FBM 0.9138
514 7WV 0.9136
515 JA8 0.9131
516 E1T 0.9130
517 ASO 0.9130
518 PHB 0.9130
519 JBE 0.9129
520 QWN 0.9128
521 2A9 0.9127
522 DX3 0.9126
523 D1X 0.9126
524 TWO 0.9125
525 IPB 0.9120
526 EUG 0.9117
527 5NE 0.9117
528 6PC 0.9117
529 GIV 0.9114
530 3R6 0.9113
531 HA5 0.9113
532 18N 0.9112
533 2ZV 0.9110
534 YSO 0.9110
535 7WR 0.9110
536 M1E 0.9109
537 0FN 0.9109
538 G12 0.9108
539 BEZ 0.9108
540 ROI 0.9107
541 DEN 0.9107
542 2HU 0.9106
543 HX3 0.9106
544 MAN 0.9105
545 PHH 0.9103
546 3A9 0.9103
547 YQA 0.9101
548 NSP 0.9101
549 24B 0.9101
550 KTW 0.9100
551 AC0 0.9100
552 1WD 0.9096
553 NCA 0.9096
554 YCP 0.9096
555 261 0.9094
556 6RQ 0.9093
557 HNQ 0.9093
558 FP1 0.9093
559 23A 0.9092
560 4KL 0.9092
561 3FH 0.9091
562 FBT 0.9090
563 1F1 0.9090
564 X0V 0.9090
565 4XV 0.9089
566 149 0.9089
567 DNA 0.9088
568 XQG 0.9088
569 TC7 0.9087
570 MCT 0.9087
571 F4Z 0.9087
572 BEN 0.9086
573 7ME 0.9084
574 KBB 0.9084
575 ADK 0.9084
576 5NI 0.9082
577 X8D 0.9081
578 HBD 0.9081
579 RMN 0.9080
580 2KA 0.9079
581 EN1 0.9079
582 2FY 0.9076
583 PAB 0.9075
584 2FG 0.9074
585 KOJ 0.9074
586 45C 0.9073
587 4P5 0.9073
588 ZZT 0.9073
589 SS1 0.9072
590 JU2 0.9071
591 0CU 0.9070
592 4ZC 0.9070
593 J9T 0.9069
594 52C 0.9069
595 BAM 0.9067
596 ZZ8 0.9066
597 ZZZ 0.9065
598 HDH 0.9064
599 BPU 0.9064
600 HHS 0.9063
601 WCE 0.9063
602 0F9 0.9063
603 UNU 0.9062
604 NIO 0.9061
605 TH0 0.9061
606 MWM 0.9061
607 NBZ 0.9060
608 INS 0.9060
609 JYB 0.9059
610 9ZE 0.9057
611 3DM 0.9056
612 PHU 0.9055
613 BRT 0.9054
614 KIB 0.9053
615 KIA 0.9053
616 6NI 0.9051
617 UEG 0.9051
618 IFP 0.9049
619 URF 0.9048
620 L99 0.9048
621 30G 0.9048
622 1Y6 0.9047
623 4ZE 0.9047
624 CWJ 0.9046
625 JAW 0.9046
626 XBZ 0.9046
627 F5B 0.9045
628 GOX 0.9044
629 TT4 0.9043
630 3BZ 0.9042
631 4HM 0.9042
632 TDR 0.9042
633 1MC 0.9042
634 PZA 0.9042
635 BK9 0.9041
636 PBA 0.9041
637 IND 0.9041
638 KBG 0.9040
639 AC6 0.9040
640 NVU 0.9040
641 4HO 0.9040
642 HMU 0.9039
643 ABI 0.9038
644 8XQ 0.9038
645 1GN 0.9038
646 HQJ 0.9037
647 FAN 0.9036
648 EKZ 0.9036
649 QXW 0.9035
650 PYD 0.9034
651 BMA 0.9034
652 MBG 0.9032
653 4RU 0.9030
654 C9E 0.9030
655 VOH 0.9029
656 43M 0.9029
657 BZI 0.9029
658 2YU 0.9029
659 NMJ 0.9028
660 4TU 0.9027
661 PBC 0.9027
662 IFL 0.9026
663 PBZ 0.9025
664 OAA 0.9024
665 XYS 0.9023
666 OVM 0.9022
667 2AC 0.9022
668 0XT 0.9021
669 ASC 0.9020
670 1U6 0.9020
671 NOY 0.9019
672 3MB 0.9017
673 2MP 0.9017
674 MZG 0.9017
675 H5B 0.9016
676 NTM 0.9016
677 4XS 0.9014
678 275 0.9014
679 GJP 0.9011
680 XYD 0.9011
681 X05 0.9010
682 34A 0.9010
683 717 0.9010
684 IDM 0.9009
685 6BL 0.9007
686 4MA 0.9007
687 4JJ 0.9006
688 PRZ 0.9006
689 9FE 0.9005
690 S76 0.9005
691 BSX 0.9004
692 3RK 0.9004
693 826 0.9003
694 BZF 0.9003
695 5MH 0.9000
696 APG 0.8999
697 5CL 0.8998
698 PDC 0.8996
699 GXL 0.8996
700 YIO 0.8996
701 ADA 0.8995
702 LZ1 0.8992
703 5JC 0.8991
704 DGJ 0.8991
705 HFB 0.8987
706 JZ3 0.8987
707 4CL 0.8986
708 PHT 0.8983
709 1HN 0.8982
710 TM7 0.8981
711 A13 0.8979
712 OMD 0.8979
713 NK 0.8978
714 1A7 0.8978
715 JZ2 0.8978
716 A1U 0.8978
717 TSS 0.8978
718 K32 0.8977
719 MWJ 0.8975
720 WBU 0.8974
721 3QV 0.8973
722 NTN 0.8973
723 JXW 0.8972
724 GAF 0.8970
725 SLS 0.8968
726 BZ2 0.8967
727 BZJ 0.8966
728 TBS 0.8963
729 JFJ 0.8962
730 ICP 0.8960
731 P3K 0.8960
732 UFV 0.8958
733 GLT 0.8957
734 PX7 0.8957
735 4WL 0.8957
736 EOL 0.8956
737 7CZ 0.8956
738 XXP 0.8955
739 KLW 0.8952
740 HT4 0.8952
741 LDR 0.8951
742 BCF 0.8951
743 NCT 0.8951
744 MPI 0.8950
745 V1T 0.8949
746 4SX 0.8949
747 BR9 0.8948
748 4JP 0.8947
749 JF2 0.8947
750 GVH 0.8947
751 5VL 0.8947
752 12T 0.8946
753 L7T 0.8946
754 JIF 0.8946
755 3MA 0.8945
756 0W1 0.8944
757 X6X 0.8942
758 TIY 0.8941
759 0R1 0.8940
760 KFH 0.8940
761 GCO 0.8939
762 06B 0.8936
763 QWW 0.8935
764 VGL 0.8935
765 XBT 0.8935
766 0CT 0.8934
767 BBF 0.8933
768 PA1 0.8933
769 MLT 0.8933
770 4JO 0.8931
771 EV0 0.8930
772 DNC 0.8930
773 Z82 0.8930
774 E35 0.8929
775 5UC 0.8928
776 VNJ 0.8928
777 L3Q 0.8926
778 LNR 0.8926
779 K17 0.8926
780 QX2 0.8925
781 HA7 0.8924
782 0TR 0.8923
783 1P3 0.8923
784 PIY 0.8923
785 GOG 0.8922
786 M58 0.8922
787 X09 0.8922
788 5NS 0.8922
789 27B 0.8922
790 KGK 0.8921
791 FBV 0.8920
792 GLY PRO 0.8920
793 0R0 0.8919
794 2F6 0.8919
795 E7S 0.8919
796 1QP 0.8918
797 9AP 0.8916
798 27Y 0.8916
799 4AN 0.8915
800 I1N 0.8912
801 GV9 0.8911
802 EGR 0.8911
803 344 0.8908
804 PIM 0.8906
805 ESP 0.8906
806 BSP 0.8904
807 L5V 0.8904
808 DHR 0.8904
809 ONR 0.8903
810 K34 0.8902
811 IBF 0.8902
812 4FH 0.8902
813 IT2 0.8900
814 2A7 0.8899
815 N3W 0.8899
816 F6P 0.8899
817 FA3 0.8899
818 DQN 0.8898
819 TLD 0.8898
820 GNM 0.8898
821 DFB 0.8898
822 174 0.8897
823 JFD 0.8897
824 AX3 0.8897
825 FB1 0.8896
826 SW7 0.8893
827 QIC 0.8893
828 AY4 0.8892
829 GCW 0.8890
830 ESX 0.8890
831 NAG 0.8890
832 KYA 0.8889
833 ZWZ 0.8888
834 FBW 0.8888
835 DE5 0.8887
836 K97 0.8885
837 PNZ 0.8885
838 091 0.8884
839 3OC 0.8884
840 QSC 0.8884
841 JB8 0.8883
842 TYL 0.8883
843 HBA 0.8882
844 PHE 0.8878
845 KYD 0.8878
846 8NX 0.8876
847 BPY 0.8876
848 M4E 0.8876
849 PCI 0.8875
850 51R 0.8875
851 K22 0.8874
852 FDK 0.8873
853 AMG 0.8873
854 GOO 0.8872
855 JDN 0.8870
856 329 0.8870
857 PAC 0.8870
858 HTP 0.8870
859 RSF 0.8870
860 RSO 0.8868
861 FBU 0.8865
862 T6C 0.8865
863 G4D 0.8865
864 ARB 0.8862
865 H7Y 0.8860
866 XYL 0.8860
867 6TZ 0.8860
868 KTA 0.8858
869 ICB 0.8855
870 4ZA 0.8854
871 N0Z 0.8854
872 6QF 0.8853
873 ZZ3 0.8853
874 7MX 0.8852
875 3XX 0.8852
876 AN3 0.8851
877 MVL 0.8851
878 IWT 0.8850
879 OW4 0.8850
880 ANN 0.8849
881 DYA 0.8849
882 EMZ 0.8847
883 4VS 0.8845
884 3SK 0.8844
885 IUR 0.8843
886 8XL 0.8842
887 N7I 0.8842
888 LZ2 0.8841
889 JF1 0.8840
890 CN0 0.8840
891 DMJ 0.8839
892 B56 0.8838
893 KTJ 0.8838
894 J6W 0.8836
895 DIE 0.8835
896 APS 0.8835
897 OTR 0.8835
898 4VY 0.8834
899 PJW 0.8834
900 GHM 0.8833
901 GIM 0.8833
902 OXQ 0.8833
903 6FZ 0.8833
904 7MH 0.8833
905 ZBT 0.8833
906 P72 0.8832
907 AEF 0.8832
908 RIP 0.8831
909 LCN 0.8829
910 F81 0.8827
911 MSR 0.8827
912 9PY 0.8826
913 HBO 0.8825
914 AEZ 0.8824
915 XCZ 0.8822
916 PD2 0.8820
917 FUC 0.8820
918 AA 0.8819
919 Y8I 0.8818
920 GBD 0.8816
921 5TY 0.8813
922 1XA 0.8813
923 Q02 0.8813
924 LAO 0.8810
925 RPQ 0.8808
926 AIN 0.8808
927 FSW 0.8808
928 948 0.8807
929 3TJ 0.8807
930 0MK 0.8807
931 GAG 0.8806
932 FBG 0.8805
933 95Z 0.8805
934 MT5 0.8804
935 MXN 0.8803
936 5WU 0.8803
937 J9N 0.8801
938 EXD 0.8799
939 2LP 0.8798
940 R8S 0.8797
941 2CL 0.8794
942 BNT 0.8793
943 IAC 0.8793
944 RNS 0.8792
945 MT8 0.8791
946 OK7 0.8790
947 A65 0.8788
948 35C 0.8787
949 8MO 0.8787
950 2O6 0.8786
951 F1A 0.8786
952 NGO 0.8786
953 JR2 0.8785
954 FRU 0.8785
955 F3B 0.8783
956 YRL 0.8783
957 JZ9 0.8782
958 TIU 0.8781
959 6KT 0.8781
960 MFB 0.8780
961 CXF 0.8780
962 1X7 0.8779
963 SAN 0.8779
964 FH2 0.8778
965 AZF 0.8778
966 GCV 0.8775
967 1AL 0.8774
968 TSU 0.8774
969 CK2 0.8770
970 14J 0.8769
971 O2A 0.8768
972 FUD 0.8767
973 MHK 0.8766
974 MZB 0.8766
975 64C 0.8764
976 DFU 0.8762
977 HXX 0.8761
978 6R8 0.8761
979 M3H 0.8760
980 GT0 0.8758
981 FCR 0.8758
982 AAS 0.8758
983 K6X 0.8757
984 F4E 0.8757
985 9RW 0.8753
986 RHU 0.8753
987 ANF 0.8752
988 7I2 0.8752
989 1WC 0.8752
990 DHY 0.8752
991 IF7 0.8748
992 SRT 0.8747
993 JKZ 0.8745
994 MJ2 0.8745
995 IFM 0.8745
996 GLF 0.8744
997 RAT 0.8744
998 E3D 0.8742
999 4VP 0.8742
1000 F2W 0.8741
1001 3SL 0.8741
1002 CPZ 0.8741
1003 68A 0.8739
1004 61M 0.8737
1005 X0W 0.8734
1006 LYL 0.8734
1007 293 0.8732
1008 0BP 0.8731
1009 H62 0.8731
1010 RM4 0.8731
1011 60P 0.8730
1012 SMN 0.8729
1013 SJ5 0.8729
1014 H6B 0.8729
1015 A09 0.8728
1016 UNJ 0.8728
1017 FHC 0.8728
1018 GTL 0.8728
1019 FCB 0.8725
1020 XDE 0.8722
1021 FB2 0.8722
1022 3C1 0.8720
1023 1L5 0.8720
1024 3J8 0.8718
1025 PQK 0.8717
1026 MNM 0.8716
1027 R8A 0.8712
1028 2SX 0.8711
1029 0LH 0.8710
1030 6X9 0.8710
1031 LMR 0.8709
1032 IDH 0.8708
1033 SYA 0.8707
1034 ANC 0.8705
1035 8GK 0.8705
1036 8G0 0.8704
1037 QBM 0.8703
1038 JP2 0.8702
1039 TZF 0.8701
1040 3C2 0.8700
1041 3GQ 0.8700
1042 12M 0.8698
1043 537 0.8693
1044 QMP 0.8690
1045 H8N 0.8690
1046 PKU 0.8684
1047 PMB 0.8682
1048 XXG 0.8682
1049 FCA 0.8681
1050 BNL 0.8681
1051 2MN 0.8680
1052 L22 0.8680
1053 2HC 0.8680
1054 K37 0.8677
1055 SNU 0.8676
1056 4V6 0.8676
1057 7D2 0.8675
1058 FK8 0.8673
1059 DRG 0.8673
1060 2PG 0.8671
1061 NHG 0.8671
1062 FQI 0.8670
1063 M1Z 0.8670
1064 CCV 0.8668
1065 ZXD 0.8664
1066 TBP 0.8664
1067 N2Z 0.8663
1068 GTZ 0.8663
1069 MSN 0.8663
1070 FBS 0.8662
1071 R20 0.8661
1072 OVP 0.8660
1073 DPT 0.8659
1074 H4E 0.8659
1075 JXZ 0.8658
1076 X0U 0.8656
1077 MFU 0.8654
1078 4V2 0.8653
1079 ARP 0.8652
1080 4BL 0.8651
1081 505 0.8650
1082 6OT 0.8648
1083 D3M 0.8648
1084 FHN 0.8647
1085 RIB 0.8647
1086 OXZ 0.8645
1087 286 0.8644
1088 AP4 0.8641
1089 4J8 0.8641
1090 TAG 0.8640
1091 SG2 0.8638
1092 TFU 0.8636
1093 6E8 0.8634
1094 RB5 0.8630
1095 ABE 0.8627
1096 THA 0.8622
1097 4P0 0.8621
1098 7VP 0.8620
1099 3ZB 0.8620
1100 259 0.8618
1101 36E 0.8616
1102 MPV 0.8613
1103 HX4 0.8613
1104 HLD 0.8611
1105 FUF 0.8611
1106 DHS 0.8610
1107 260 0.8609
1108 K8X 0.8608
1109 FA6 0.8607
1110 NBG 0.8607
1111 SVD 0.8606
1112 TAR 0.8599
1113 4BY 0.8597
1114 45L 0.8595
1115 4NM 0.8591
1116 3AL 0.8590
1117 NLA 0.8589
1118 F69 0.8589
1119 QOS 0.8588
1120 HIO 0.8587
1121 UQ 0.8578
1122 GIF 0.8569
1123 3QM 0.8560
1124 MIG 0.8560
1125 XQK 0.8558
1126 49O 0.8553
1127 M5N 0.8548
1128 6LW 0.8548
1129 7N0 0.8541
1130 PRY 0.8540
1131 HPS 0.8523
1132 MMA 0.8510
1133 HSO 0.8504
Ligand no: 2; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2H8Z; Ligand: 8CM; 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: 2h8z.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2H8Z; Ligand: 8CM; 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: 2h8z.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2H8Z; Ligand: 8CM; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 2h8z.bio1) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 6AGZ FMN 32.8691
2 6UFF FMN 41.5042
Pocket No.: 4; Query (leader) PDB : 2H8Z; Ligand: 8CM; 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: 2h8z.bio1) has 76 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2H8Z; Ligand: 8CM; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 2h8z.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYA ZIO 3.62117
2 2IYA ZIO 3.62117
3 2DT9 THR 7.78443
Pocket No.: 6; Query (leader) PDB : 2H8Z; Ligand: 8CM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2h8z.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2H8Z; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 2h8z.bio1) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 6AGZ FMN 32.8691
2 6UFF FMN 41.5042
Pocket No.: 8; Query (leader) PDB : 2H8Z; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2h8z.bio1) has 76 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback