Receptor
PDB id Resolution Class Description Source Keywords
4JJF 2.2 Å EC: 1.12.98.2 CRYSTAL STRUCTURE OF FE-HYDROGENASE FROM METHANOTHERMOBACTER MARBURGENSIS IN COMPLEX WITH 2-NAPHTHYLISOCYANIDE METHANOTHERMOBACTER MARBURGENSIS ALPHA-BETA FOLD HYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF [FE]-HYDROGENASE IN COMPLEX W INHIBITORY ISOCYANIDES: IMPLICATIONS FOR THE H2 -AC SITE. ANGEW.CHEM.INT.ED.ENGL. V. 52 9656 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE9 A:401;
B:401;
B:401;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
686.323 C21 H23 Fe N6 O13 P S CC1=C...
N2I A:402;
B:402;
Valid;
Valid;
none;
none;
Ki = 10 nM
155.196 C11 H9 N C=Nc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JJF 2.2 Å EC: 1.12.98.2 CRYSTAL STRUCTURE OF FE-HYDROGENASE FROM METHANOTHERMOBACTER MARBURGENSIS IN COMPLEX WITH 2-NAPHTHYLISOCYANIDE METHANOTHERMOBACTER MARBURGENSIS ALPHA-BETA FOLD HYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF [FE]-HYDROGENASE IN COMPLEX W INHIBITORY ISOCYANIDES: IMPLICATIONS FOR THE H2 -AC SITE. ANGEW.CHEM.INT.ED.ENGL. V. 52 9656 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JJF Ki = 10 nM N2I C11 H9 N C=Nc1ccc2c....
2 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
3 5OK4 - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
5 4JJF Ki = 10 nM N2I C11 H9 N C=Nc1ccc2c....
6 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
7 5OK4 - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
5 4JJF Ki = 10 nM N2I C11 H9 N C=Nc1ccc2c....
6 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
7 5OK4 - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FE9; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 FE9 1 1
2 YGP 0.595041 0.860215
3 GP3 0.575221 0.778947
4 I2C FE2 CMO CMO 0.573529 0.935484
5 GDP 0.570175 0.776596
6 GNH 0.565217 0.787234
7 GTP 0.555556 0.776596
8 GMV 0.555556 0.778947
9 G 0.553571 0.784946
10 5GP 0.553571 0.784946
11 G1R 0.550847 0.768421
12 GCP 0.550847 0.760417
13 GNP 0.546219 0.778947
14 GSP 0.546219 0.8
15 9GM 0.546219 0.778947
16 GPG 0.544715 0.770833
17 ZGP 0.537313 0.833333
18 G2R 0.536585 0.752577
19 GP2 0.529915 0.752577
20 FEG 0.529851 0.804124
21 Y9Z 0.527559 0.767677
22 GKE 0.527559 0.770833
23 GDD 0.527559 0.770833
24 GDC 0.527559 0.770833
25 GAV 0.52459 0.808511
26 GFB 0.523438 0.789474
27 GDR 0.523438 0.789474
28 JB2 0.523077 0.789474
29 G3A 0.51938 0.778947
30 GPD 0.519084 0.802083
31 ALF 5GP 0.516667 0.755102
32 G5P 0.515385 0.778947
33 GDP BEF 0.512397 0.787234
34 GTG 0.511628 0.791667
35 G2P 0.508197 0.752577
36 6CK 0.507692 0.755102
37 GKD 0.5 0.770833
38 U2G 0.49635 0.791667
39 GDX 0.496241 0.778947
40 GTP MG 0.495935 0.784946
41 CG2 0.489209 0.791667
42 JB3 0.489051 0.8
43 NGD 0.485507 0.789474
44 GDP AF3 0.480315 0.755102
45 GDP ALF 0.480315 0.755102
46 TPG 0.47619 0.792079
47 PGD 0.472603 0.840426
48 2MD 0.464789 0.852632
49 KB7 0.463415 0.686869
50 GDP 7MG 0.459259 0.789474
51 GMP 0.455357 0.684211
52 CAG 0.455172 0.77
53 MGD 0.455172 0.852632
54 MD1 0.452703 0.833333
55 G4M 0.44586 0.752475
56 KBD 0.439394 0.686869
57 G3D 0.4375 0.765957
58 G4P 0.430769 0.765957
59 0O2 0.428571 0.765957
60 DBG 0.427632 0.78125
61 3GP 0.421488 0.755319
62 GPC 0.416107 0.767677
63 KBJ 0.416058 0.683168
64 AKW 0.413793 0.8125
65 G1G 0.410596 0.802083
66 PGD O 0.406452 0.85567
67 GH3 0.401515 0.757895
68 G1R G1R 0.4 0.762887
Ligand no: 2; Ligand: N2I; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 N2I 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FE9; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: N2I; Similar ligands found: 1368
No: Ligand Similarity coefficient
1 8ZE 0.9992
2 KDV 0.9911
3 BCU 0.9894
4 5XC 0.9867
5 5OB 0.9865
6 BZ3 0.9842
7 2BG 0.9768
8 ES5 0.9767
9 F9Y 0.9749
10 0JD 0.9748
11 MR1 0.9742
12 OCH 0.9741
13 3A9 0.9733
14 15N 0.9731
15 2AQ 0.9725
16 03V 0.9723
17 JB5 0.9718
18 TSS 0.9718
19 4FS 0.9716
20 9ZE 0.9708
21 COU 0.9700
22 XIY 0.9690
23 H42 0.9685
24 1M2 0.9685
25 94W 0.9661
26 9R5 0.9652
27 4YO 0.9643
28 6VD 0.9630
29 I3A 0.9629
30 5GU 0.9627
31 4JQ 0.9622
32 JAW 0.9617
33 1F1 0.9614
34 JND 0.9610
35 N8Y 0.9606
36 PNZ 0.9605
37 E1T 0.9604
38 J6W 0.9601
39 0HO 0.9601
40 0HN 0.9595
41 6NT 0.9594
42 KJU 0.9590
43 JB8 0.9586
44 ES2 0.9581
45 2HQ 0.9580
46 4JT 0.9579
47 RM1 0.9579
48 3NY 0.9577
49 0TU 0.9576
50 CWJ 0.9576
51 JDN 0.9576
52 1P8 0.9572
53 K2T 0.9568
54 TTL 0.9565
55 R9Y 0.9564
56 CLW 0.9559
57 5NI 0.9556
58 SLS 0.9555
59 2ZM 0.9551
60 15E 0.9543
61 FBB 0.9541
62 CTL 0.9538
63 TT4 0.9535
64 GJP 0.9534
65 36R 0.9532
66 J9W 0.9529
67 E5X 0.9526
68 MQN 0.9525
69 BZ2 0.9523
70 MRW 0.9520
71 BZJ 0.9519
72 AMH 0.9517
73 SYV 0.9512
74 ABI 0.9510
75 9FL 0.9509
76 5QY 0.9508
77 ESP 0.9507
78 SRO 0.9506
79 8WO 0.9503
80 ANN 0.9502
81 6NI 0.9501
82 G3E 0.9501
83 M5K 0.9499
84 3PF 0.9499
85 A7H 0.9497
86 7HQ 0.9496
87 JAE 0.9493
88 ET2 0.9493
89 DIN 0.9492
90 3Z8 0.9489
91 D48 0.9487
92 6KT 0.9487
93 2HU 0.9486
94 HA5 0.9486
95 CWS 0.9483
96 E7S 0.9483
97 0FK 0.9477
98 MEW 0.9476
99 8W9 0.9476
100 J5I 0.9475
101 4HC 0.9474
102 OVM 0.9473
103 27B 0.9467
104 AJ2 0.9467
105 NIZ 0.9467
106 1P7 0.9466
107 0P6 0.9466
108 BPN 0.9466
109 KUF 0.9463
110 92P 0.9463
111 PE0 0.9460
112 ESX 0.9459
113 IAC 0.9459
114 717 0.9458
115 OW4 0.9457
116 BK9 0.9453
117 PH2 0.9453
118 11S 0.9451
119 FK1 0.9447
120 M1Q 0.9447
121 4HM 0.9447
122 3MB 0.9445
123 42A 0.9441
124 HQJ 0.9441
125 SHA 0.9440
126 H4N 0.9439
127 A7W 0.9439
128 5VM 0.9435
129 ICB 0.9435
130 BSX 0.9432
131 GO2 0.9432
132 9FE 0.9432
133 6FZ 0.9430
134 OW7 0.9428
135 86J 0.9427
136 ISZ 0.9427
137 259 0.9426
138 SE2 0.9426
139 KYA 0.9425
140 7W1 0.9424
141 ICO 0.9424
142 1IT 0.9423
143 MS9 0.9423
144 ES9 0.9421
145 9CA 0.9416
146 SNO 0.9415
147 7VS 0.9413
148 AZ8 0.9412
149 4NM 0.9412
150 DQU 0.9412
151 HDH 0.9411
152 LDP 0.9409
153 8CM 0.9408
154 8NY 0.9408
155 IWT 0.9407
156 8HC 0.9406
157 TGX 0.9405
158 HHR 0.9405
159 3R6 0.9404
160 B62 0.9403
161 5WV 0.9403
162 8WT 0.9403
163 BHO 0.9401
164 428 0.9400
165 VGD 0.9400
166 0LH 0.9397
167 M6N 0.9397
168 M2K 0.9396
169 RNO 0.9395
170 KJH 0.9394
171 BGC 0.9394
172 5B1 0.9392
173 0FN 0.9387
174 1HN 0.9387
175 ABV 0.9383
176 F4E 0.9382
177 J9Q 0.9381
178 LNR 0.9381
179 X0U 0.9381
180 EYV 0.9380
181 URC 0.9380
182 OTW 0.9379
183 5MI 0.9376
184 5QX 0.9375
185 M1H 0.9375
186 Z82 0.9375
187 2FY 0.9374
188 QX4 0.9374
189 M4E 0.9373
190 J9N 0.9371
191 HQT 0.9369
192 F60 0.9369
193 IV2 0.9369
194 C2Y 0.9368
195 M0Q 0.9367
196 CFI 0.9365
197 KKN 0.9363
198 12Q 0.9362
199 ISN 0.9362
200 4RU 0.9361
201 44W 0.9360
202 TH7 0.9360
203 DNF 0.9360
204 1A7 0.9359
205 NDH 0.9358
206 5MB 0.9358
207 2AK 0.9355
208 SKA 0.9354
209 4MU 0.9354
210 0F9 0.9354
211 CPZ 0.9354
212 2LY 0.9353
213 AQO 0.9352
214 3QV 0.9352
215 44V 0.9352
216 Q24 0.9351
217 4FA 0.9350
218 NPO 0.9350
219 MSR 0.9350
220 LZM 0.9349
221 173 0.9348
222 XHP 0.9346
223 5RN 0.9346
224 14O 0.9344
225 BZX 0.9344
226 6ME 0.9343
227 1L5 0.9342
228 5H1 0.9340
229 PEY 0.9339
230 FA0 0.9339
231 I1E 0.9338
232 QBK 0.9338
233 2EC 0.9338
234 AX7 0.9337
235 A29 0.9335
236 FUD 0.9335
237 KOJ 0.9335
238 PD2 0.9333
239 DRL 0.9332
240 97T 0.9331
241 L99 0.9330
242 4WL 0.9330
243 6RQ 0.9329
244 ESI 0.9329
245 YRL 0.9329
246 PHB 0.9329
247 2K4 0.9328
248 OTR 0.9328
249 7VP 0.9326
250 MAJ 0.9326
251 BEA 0.9325
252 PBA 0.9321
253 MVN 0.9321
254 EA1 0.9320
255 4P5 0.9320
256 TSR 0.9318
257 UFO 0.9318
258 KTW 0.9317
259 PQ0 0.9317
260 QWN 0.9314
261 RJY 0.9314
262 ODO 0.9314
263 LT2 0.9314
264 J9T 0.9310
265 PRF 0.9309
266 MO8 0.9308
267 7MX 0.9307
268 GLC 0.9306
269 3VX 0.9304
270 4M0 0.9304
271 OVP 0.9303
272 268 0.9302
273 HQD 0.9302
274 6AI 0.9300
275 ES7 0.9299
276 F31 0.9299
277 5RO 0.9298
278 FBM 0.9297
279 PAB 0.9297
280 PXL 0.9296
281 0FO 0.9294
282 I3E 0.9292
283 GOJ 0.9292
284 DMD 0.9289
285 EUG 0.9289
286 UNJ 0.9288
287 AJV 0.9286
288 SKF 0.9285
289 4I8 0.9285
290 KT7 0.9283
291 M1E 0.9283
292 DE5 0.9282
293 4BY 0.9282
294 HBD 0.9282
295 XAZ 0.9281
296 QXW 0.9281
297 3ZB 0.9281
298 JA8 0.9280
299 PPY 0.9280
300 2MI 0.9278
301 HBO 0.9278
302 DOB 0.9278
303 4BL 0.9277
304 N91 0.9277
305 FDB 0.9277
306 GXY 0.9276
307 12T 0.9275
308 PDC 0.9273
309 F9P 0.9270
310 7W4 0.9270
311 HMH 0.9269
312 TYL 0.9269
313 54G 0.9266
314 PBZ 0.9266
315 UAN 0.9265
316 GTQ 0.9265
317 7MU 0.9265
318 8XL 0.9264
319 5JQ 0.9263
320 5CU 0.9263
321 FDR 0.9261
322 ZYR 0.9261
323 APZ 0.9258
324 4MA 0.9258
325 VNL 0.9257
326 HLZ 0.9256
327 V1T 0.9255
328 KTJ 0.9255
329 M0W 0.9254
330 YZM 0.9253
331 BHA 0.9253
332 INO 0.9253
333 XQ0 0.9252
334 OA3 0.9252
335 HX4 0.9252
336 2O6 0.9251
337 BTY 0.9250
338 BQ2 0.9250
339 M5E 0.9249
340 YH7 0.9249
341 AN3 0.9248
342 N2Z 0.9247
343 8OZ 0.9246
344 GCS 0.9246
345 2A9 0.9245
346 W81 0.9244
347 75K 0.9243
348 PZM 0.9243
349 P92 0.9243
350 R8V 0.9242
351 7ME 0.9241
352 2FQ 0.9241
353 CH9 0.9241
354 0N7 0.9240
355 DHR 0.9240
356 EVF 0.9239
357 3ID 0.9239
358 L22 0.9239
359 PRZ 0.9236
360 174 0.9234
361 2HC 0.9233
362 DHB 0.9233
363 5NU 0.9232
364 ZZZ 0.9232
365 795 0.9232
366 8TX 0.9231
367 463 0.9230
368 4AA 0.9229
369 4TU 0.9229
370 3NT 0.9229
371 PJW 0.9228
372 L5V 0.9228
373 1DW 0.9226
374 5TY 0.9226
375 B55 0.9225
376 EN1 0.9225
377 JP2 0.9224
378 HHS 0.9224
379 N1E 0.9221
380 XM0 0.9220
381 IOS 0.9219
382 3DM 0.9219
383 SN4 0.9215
384 61M 0.9212
385 4NC 0.9210
386 R8S 0.9209
387 MAQ 0.9209
388 6N4 0.9208
389 PQK 0.9208
390 GNM 0.9207
391 92K 0.9206
392 HX3 0.9206
393 4VY 0.9205
394 ALE 0.9205
395 XDE 0.9205
396 52C 0.9205
397 CLZ 0.9203
398 258 0.9202
399 9DG 0.9202
400 4NB 0.9201
401 IFL 0.9199
402 AEF 0.9199
403 DEE 0.9198
404 MWP 0.9198
405 FP1 0.9196
406 069 0.9196
407 HIS 0.9196
408 NOJ 0.9195
409 OVV 0.9195
410 D3G 0.9193
411 PO6 0.9193
412 APS 0.9193
413 BOA 0.9192
414 ARP 0.9191
415 TTY 0.9191
416 XAN 0.9191
417 93K 0.9191
418 5LA 0.9191
419 DBJ 0.9190
420 0CU 0.9189
421 270 0.9189
422 LQ2 0.9189
423 PKU 0.9189
424 4ZA 0.9187
425 NCT 0.9187
426 MUA 0.9184
427 F05 0.9184
428 5RG 0.9183
429 4ME 0.9183
430 2F6 0.9182
431 3R4 0.9182
432 NAG 0.9181
433 5WZ 0.9181
434 VK3 0.9181
435 3HB 0.9180
436 PHE 0.9177
437 1Y6 0.9177
438 JYB 0.9174
439 DBX 0.9174
440 HC4 0.9174
441 Z5P 0.9173
442 JG8 0.9172
443 BNF 0.9172
444 SNU 0.9172
445 M4T 0.9171
446 AZ9 0.9170
447 M3H 0.9169
448 30G 0.9169
449 2K8 0.9167
450 PIM 0.9167
451 67N 0.9166
452 826 0.9165
453 B60 0.9164
454 ZZT 0.9164
455 R20 0.9164
456 0XT 0.9163
457 S0E 0.9162
458 CWM 0.9162
459 TPA 0.9162
460 ASO 0.9161
461 6AP 0.9160
462 E7Z 0.9159
463 GAB 0.9159
464 DIE 0.9157
465 SX1 0.9157
466 V55 0.9156
467 1QP 0.9156
468 CKA 0.9156
469 AHR 0.9156
470 8S0 0.9156
471 BIK 0.9155
472 4KL 0.9155
473 BCP 0.9154
474 4XR 0.9154
475 2D0 0.9153
476 TXW 0.9152
477 TZF 0.9152
478 A5E 0.9150
479 TSU 0.9150
480 GUN 0.9149
481 NNO 0.9149
482 AC6 0.9147
483 NFM 0.9146
484 6TZ 0.9146
485 82I 0.9145
486 PHU 0.9145
487 P9P 0.9145
488 GAL 0.9144
489 YPN 0.9143
490 4Z4 0.9143
491 G3F 0.9142
492 1XM 0.9141
493 FF2 0.9141
494 2HO 0.9140
495 B57 0.9138
496 5VL 0.9138
497 GVG 0.9138
498 GZL 0.9136
499 4M4 0.9135
500 TAG 0.9134
501 42J 0.9134
502 6GU 0.9133
503 GO8 0.9133
504 8H8 0.9133
505 H4E 0.9132
506 5WU 0.9131
507 L14 0.9131
508 JLZ 0.9131
509 DEW 0.9128
510 QIV 0.9128
511 ONR 0.9127
512 NOY 0.9126
513 PIY 0.9126
514 4A3 0.9125
515 HMU 0.9121
516 A7N 0.9120
517 9MG 0.9120
518 FHB 0.9120
519 VXX 0.9120
520 5M0 0.9118
521 Q88 0.9118
522 36Y 0.9117
523 HDL 0.9116
524 BNL 0.9116
525 NQ 0.9115
526 5GT 0.9115
527 2QC 0.9115
528 QBM 0.9114
529 THA 0.9114
530 3DO 0.9113
531 AZA 0.9113
532 M1A 0.9111
533 INE 0.9111
534 DRG 0.9110
535 ANF 0.9110
536 4LW 0.9110
537 MYJ 0.9109
538 ASC 0.9108
539 36E 0.9108
540 AA 0.9108
541 4V2 0.9108
542 5NE 0.9108
543 CK2 0.9107
544 36M 0.9107
545 EXD 0.9107
546 KMY 0.9107
547 ES0 0.9106
548 PZI 0.9106
549 WCE 0.9106
550 S7J 0.9106
551 JXW 0.9105
552 5JL 0.9105
553 CHB 0.9105
554 FK8 0.9104
555 39O 0.9103
556 DNA 0.9102
557 5MK 0.9102
558 3M0 0.9102
559 LCN 0.9101
560 EUE 0.9101
561 SOR 0.9098
562 68A 0.9097
563 M5H 0.9097
564 H7Y 0.9095
565 FHC 0.9094
566 JXZ 0.9093
567 NID 0.9093
568 MD6 0.9093
569 H5B 0.9093
570 3BZ 0.9092
571 8NX 0.9091
572 O2A 0.9090
573 4JC 0.9090
574 DBH 0.9089
575 RXA 0.9088
576 XX2 0.9082
577 M4S 0.9082
578 RA7 0.9082
579 JF2 0.9081
580 NYL 0.9080
581 RNS 0.9080
582 XQG 0.9080
583 0NX 0.9079
584 FYU 0.9079
585 G2F 0.9078
586 4Z3 0.9078
587 NMJ 0.9078
588 3HM 0.9076
589 GF4 0.9076
590 45L 0.9074
591 CN0 0.9074
592 IHB 0.9074
593 28N 0.9072
594 SAN 0.9072
595 P9E 0.9071
596 GCU 0.9071
597 0W1 0.9070
598 HHH 0.9070
599 AOT 0.9068
600 7O4 0.9068
601 0BP 0.9068
602 WOO 0.9067
603 VOH 0.9067
604 0W8 0.9067
605 091 0.9067
606 6QF 0.9067
607 6CS 0.9067
608 HSO 0.9067
609 141 0.9066
610 N2M 0.9066
611 B53 0.9066
612 261 0.9066
613 BDP 0.9066
614 AEH 0.9065
615 9TW 0.9065
616 209 0.9064
617 DA4 0.9064
618 JTH 0.9064
619 NSP 0.9062
620 6M9 0.9061
621 URO 0.9059
622 P72 0.9059
623 NPY 0.9059
624 3HA 0.9059
625 XYL 0.9058
626 RB5 0.9058
627 4XF 0.9058
628 8G0 0.9057
629 DX4 0.9057
630 IGA 0.9056
631 ZHA 0.9055
632 HH5 0.9055
633 DX3 0.9053
634 A2F 0.9052
635 DHC 0.9052
636 DIU 0.9051
637 6M4 0.9049
638 4CS 0.9049
639 8IG 0.9048
640 7B3 0.9048
641 QSB 0.9048
642 2FX 0.9048
643 LKA 0.9048
644 D07 0.9047
645 AZG 0.9046
646 QUS 0.9045
647 Z13 0.9045
648 OQC 0.9044
649 B5D 0.9043
650 53C 0.9043
651 FQI 0.9042
652 TCA 0.9042
653 2KA 0.9041
654 KJY 0.9040
655 SMN 0.9039
656 MPV 0.9039
657 K4V 0.9037
658 M6Z 0.9036
659 7B4 0.9036
660 PEA 0.9036
661 LR5 0.9035
662 2LP 0.9034
663 14J 0.9034
664 8NB 0.9034
665 1KP 0.9033
666 XBT 0.9033
667 KBG 0.9030
668 DGJ 0.9030
669 LPK 0.9029
670 ZB1 0.9028
671 BRT 0.9028
672 G4D 0.9026
673 QUZ 0.9026
674 3F0 0.9026
675 FBF 0.9026
676 9TZ 0.9025
677 Y3L 0.9025
678 3AE 0.9024
679 3BU 0.9023
680 KTA 0.9023
681 HHA 0.9023
682 6FB 0.9023
683 PAC 0.9022
684 MQB 0.9021
685 5WY 0.9021
686 AJY 0.9019
687 N4E 0.9019
688 NF3 0.9018
689 C9E 0.9017
690 TWO 0.9015
691 C2U 0.9014
692 G5V 0.9012
693 X05 0.9012
694 JF1 0.9011
695 2AL 0.9010
696 8GK 0.9008
697 7ZE 0.9008
698 290 0.9007
699 SAL 0.9007
700 IPB 0.9005
701 RMN 0.9004
702 1WC 0.9004
703 HKD 0.9001
704 X0V 0.9001
705 MLT 0.9001
706 LGC 0.9000
707 4XV 0.9000
708 DPZ 0.9000
709 3W8 0.9000
710 Q71 0.9000
711 0RW 0.8998
712 2CK 0.8997
713 E35 0.8997
714 ROI 0.8997
715 4BZ 0.8997
716 1U6 0.8997
717 EGR 0.8995
718 XDK 0.8995
719 F0J 0.8992
720 TMG 0.8991
721 NVU 0.8989
722 FE DB1 0.8988
723 K7M 0.8988
724 DHY 0.8988
725 B41 0.8987
726 363 0.8986
727 CTS 0.8986
728 2ZQ 0.8985
729 QMS 0.8985
730 OAA 0.8985
731 9RW 0.8984
732 CSN 0.8984
733 SYE 0.8983
734 CFP 0.8982
735 3AB 0.8982
736 JBK 0.8980
737 4J8 0.8980
738 CXF 0.8979
739 8GC 0.8979
740 TYR 0.8979
741 AEG 0.8978
742 IQ5 0.8978
743 K82 0.8977
744 C1M 0.8975
745 NLA 0.8975
746 ANC 0.8973
747 LYL 0.8970
748 344 0.8968
749 24B 0.8967
750 5HN 0.8967
751 1Z6 0.8967
752 Q02 0.8966
753 ALL 0.8965
754 FIX 0.8964
755 SG2 0.8964
756 4VP 0.8963
757 FLV 0.8963
758 HNT 0.8963
759 DNC 0.8962
760 HBA 0.8961
761 JFJ 0.8961
762 D8Q 0.8960
763 IF7 0.8959
764 C53 0.8959
765 EYK 0.8958
766 R9S 0.8958
767 1AL 0.8957
768 B56 0.8957
769 9EW 0.8957
770 3J8 0.8956
771 SOE 0.8956
772 20J 0.8955
773 HLR 0.8953
774 3IT 0.8953
775 ZBT 0.8953
776 1NP 0.8952
777 K34 0.8952
778 I2E 0.8952
779 4SX 0.8952
780 LDR 0.8951
781 1SQ 0.8950
782 4XS 0.8949
783 PYQ 0.8948
784 H33 0.8948
785 BPY 0.8948
786 SKM 0.8948
787 F4K 0.8948
788 XRG 0.8948
789 QWW 0.8946
790 EMZ 0.8946
791 AAS 0.8945
792 5SG 0.8944
793 SVN 0.8943
794 NSG 0.8939
795 24W 0.8939
796 23J 0.8938
797 3OC 0.8938
798 SXS 0.8938
799 1LQ 0.8938
800 FCR 0.8938
801 XCG 0.8938
802 RAT 0.8937
803 51R 0.8937
804 N0Z 0.8936
805 HQY 0.8936
806 QPR 0.8935
807 54X 0.8935
808 XIZ 0.8935
809 PH3 0.8934
810 K3Q 0.8933
811 TIU 0.8933
812 AAN 0.8931
813 3QM 0.8930
814 SWA 0.8930
815 FRU 0.8930
816 DHQ 0.8930
817 ADZ 0.8929
818 AZM 0.8929
819 RBL 0.8928
820 PUE 0.8928
821 JBZ 0.8927
822 QX2 0.8926
823 92G 0.8926
824 B1J 0.8926
825 FAN 0.8925
826 P7Y 0.8924
827 NGT 0.8924
828 NPA 0.8924
829 S7A 0.8924
830 M45 0.8924
831 CFA 0.8923
832 2H5 0.8923
833 BE2 0.8923
834 ES1 0.8922
835 GDE 0.8922
836 RD4 0.8921
837 Q6T 0.8921
838 DHK 0.8921
839 3Z7 0.8921
840 ZXD 0.8920
841 OK7 0.8919
842 9AP 0.8919
843 DS0 0.8917
844 CIT 0.8917
845 2JK 0.8915
846 4FH 0.8915
847 3U4 0.8915
848 GLO 0.8914
849 4YS 0.8914
850 NGA 0.8913
851 AY4 0.8912
852 2CZ 0.8911
853 RBJ 0.8910
854 GJZ 0.8910
855 6Q3 0.8910
856 O72 0.8910
857 AX3 0.8910
858 VM1 0.8910
859 PRA 0.8910
860 5GV 0.8909
861 N9J 0.8908
862 FBS 0.8908
863 SRT 0.8906
864 EVA 0.8905
865 IFP 0.8902
866 SHG 0.8902
867 GVY 0.8901
868 5XB 0.8900
869 CXP 0.8899
870 EV2 0.8899
871 AES 0.8897
872 HHI 0.8896
873 M78 0.8895
874 Q7A 0.8895
875 E1P 0.8895
876 149 0.8895
877 FBA 0.8893
878 N7I 0.8893
879 57O 0.8893
880 ZEC 0.8892
881 QMP 0.8891
882 AMR 0.8891
883 GLA 0.8890
884 PFB 0.8890
885 DVQ 0.8889
886 5Q0 0.8889
887 GCO 0.8889
888 AKG 0.8889
889 XX3 0.8888
890 BGU 0.8888
891 AKH 0.8887
892 GT0 0.8885
893 TOF 0.8885
894 OGA 0.8885
895 JU2 0.8883
896 3FH 0.8883
897 4NZ 0.8882
898 EKZ 0.8882
899 37T 0.8882
900 YTX 0.8882
901 JXK 0.8881
902 2BX 0.8881
903 2FG 0.8881
904 HCI 0.8881
905 JYT 0.8880
906 XYP 0.8880
907 HPS 0.8878
908 SR1 0.8878
909 DK1 0.8877
910 5WX 0.8877
911 GC2 0.8875
912 MNM 0.8874
913 SJ5 0.8874
914 7WR 0.8874
915 X0W 0.8873
916 UNC 0.8873
917 MTL 0.8872
918 AL0 0.8872
919 226 0.8871
920 F2W 0.8870
921 32X 0.8870
922 CIY 0.8870
923 42C 0.8868
924 3MG 0.8866
925 657 0.8866
926 4LV 0.8866
927 BPU 0.8865
928 CXH 0.8863
929 ES6 0.8863
930 1VK 0.8863
931 3XX 0.8861
932 APG 0.8861
933 H8N 0.8860
934 HL4 0.8859
935 4SV 0.8858
936 7NI 0.8857
937 4ZC 0.8857
938 JZ4 0.8856
939 LI6 0.8855
940 GAF 0.8854
941 X6X 0.8854
942 7MW 0.8854
943 SYA 0.8853
944 NGO 0.8853
945 JBE 0.8853
946 G14 0.8852
947 6HO 0.8850
948 TYE 0.8850
949 9UL 0.8850
950 G12 0.8850
951 PRY 0.8849
952 GXL 0.8848
953 GDL 0.8847
954 2CQ 0.8847
955 D2G 0.8846
956 5NS 0.8845
957 FOT 0.8844
958 PFL 0.8844
959 1PT 0.8844
960 BZE 0.8844
961 4CM 0.8843
962 6ZX 0.8840
963 FCD 0.8840
964 NDG 0.8839
965 EV0 0.8839
966 ST3 0.8838
967 MB1 0.8837
968 REL 0.8836
969 SW7 0.8836
970 HRM 0.8836
971 PXM 0.8836
972 F69 0.8835
973 NCD 0.8835
974 27K 0.8835
975 4JM 0.8834
976 5IQ 0.8834
977 9KT 0.8833
978 LYS 0.8833
979 P80 0.8833
980 X09 0.8832
981 OHP 0.8832
982 C2B 0.8831
983 3C4 0.8830
984 GLT 0.8829
985 55D 0.8829
986 4XH 0.8829
987 ODK 0.8827
988 28S 0.8826
989 7I2 0.8825
990 SSC 0.8825
991 UEG 0.8823
992 4JE 0.8822
993 GZ2 0.8821
994 X11 0.8821
995 JPZ 0.8820
996 LZ2 0.8820
997 TRP 0.8820
998 GCB 0.8819
999 P81 0.8819
1000 IOP 0.8818
1001 492 0.8818
1002 B40 0.8817
1003 KIB 0.8817
1004 GTR 0.8815
1005 505 0.8814
1006 GIV 0.8814
1007 9BF 0.8812
1008 ZYQ 0.8812
1009 OMD 0.8812
1010 NBG 0.8810
1011 ZZA 0.8810
1012 3VS 0.8810
1013 N5J 0.8809
1014 329 0.8809
1015 E3D 0.8808
1016 3VQ 0.8807
1017 X8D 0.8806
1018 3WA 0.8806
1019 FGZ 0.8806
1020 ENO 0.8805
1021 GSY 0.8804
1022 56D 0.8804
1023 NCA 0.8803
1024 2HG 0.8803
1025 E7R 0.8802
1026 OXC 0.8802
1027 CKU 0.8801
1028 F12 0.8800
1029 X48 0.8800
1030 K17 0.8799
1031 JRB 0.8798
1032 LVD 0.8798
1033 BEN 0.8798
1034 TH0 0.8797
1035 549 0.8795
1036 6PC 0.8794
1037 FH2 0.8793
1038 GHM 0.8793
1039 DHI 0.8789
1040 URS 0.8786
1041 8U3 0.8786
1042 MS0 0.8785
1043 QY9 0.8785
1044 HH8 0.8785
1045 DMJ 0.8784
1046 1BN 0.8783
1047 XXP 0.8783
1048 4JL 0.8783
1049 4VS 0.8782
1050 ORO 0.8782
1051 LMR 0.8781
1052 88L 0.8781
1053 BEZ 0.8781
1054 TZM 0.8779
1055 PRL 0.8778
1056 F81 0.8777
1057 XUL 0.8776
1058 FDK 0.8776
1059 PCS 0.8776
1060 R2P 0.8776
1061 ZYX 0.8774
1062 JKE 0.8774
1063 4MB 0.8774
1064 NDM 0.8773
1065 ZME 0.8772
1066 S60 0.8772
1067 BMA 0.8771
1068 GWM 0.8770
1069 GJS 0.8770
1070 NOK 0.8769
1071 FLC 0.8769
1072 DFB 0.8769
1073 TBS 0.8766
1074 KF5 0.8766
1075 S2G 0.8766
1076 LEL 0.8765
1077 IJZ 0.8765
1078 NBZ 0.8765
1079 HNK 0.8764
1080 6R8 0.8764
1081 DHS 0.8764
1082 QAT 0.8763
1083 AC0 0.8763
1084 RHU 0.8763
1085 UNU 0.8763
1086 BDF 0.8761
1087 CUW 0.8761
1088 BAM 0.8761
1089 5JC 0.8760
1090 5OO 0.8760
1091 FBW 0.8758
1092 L03 0.8757
1093 K32 0.8755
1094 9KZ 0.8755
1095 PHH 0.8755
1096 HA7 0.8755
1097 TEP 0.8754
1098 PBN 0.8753
1099 HJ7 0.8753
1100 EV3 0.8751
1101 TCR 0.8751
1102 JBH 0.8750
1103 XCZ 0.8750
1104 8MO 0.8748
1105 4NP 0.8747
1106 AM4 0.8747
1107 PBC 0.8745
1108 7N0 0.8744
1109 ADA 0.8744
1110 2GS 0.8743
1111 535 0.8743
1112 F4Z 0.8742
1113 ITE 0.8742
1114 NIO 0.8742
1115 DYA 0.8741
1116 BP7 0.8741
1117 HLD 0.8740
1118 293 0.8739
1119 GYE 0.8739
1120 B85 0.8738
1121 GLU 0.8738
1122 PZA 0.8738
1123 MET 0.8737
1124 23A 0.8737
1125 YCP 0.8737
1126 FBJ 0.8736
1127 SQ4 0.8736
1128 1WG 0.8736
1129 1P3 0.8736
1130 6HP 0.8735
1131 152 0.8734
1132 KP6 0.8733
1133 1LM 0.8733
1134 6BL 0.8733
1135 25W 0.8733
1136 FQX 0.8732
1137 XEN 0.8732
1138 3VW 0.8732
1139 PRO GLY 0.8729
1140 VNJ 0.8729
1141 150 0.8727
1142 PX7 0.8726
1143 6M1 0.8726
1144 Q07 0.8725
1145 QSH 0.8725
1146 CFF 0.8724
1147 MWJ 0.8723
1148 Q77 0.8723
1149 39U 0.8722
1150 45C 0.8722
1151 EE8 0.8722
1152 86L 0.8722
1153 IL5 0.8721
1154 MZG 0.8720
1155 BBK 0.8720
1156 27Y 0.8719
1157 A2G 0.8719
1158 MAN 0.8719
1159 3XR 0.8719
1160 MCT 0.8717
1161 3SL 0.8717
1162 3TC 0.8716
1163 AMS 0.8715
1164 S8A 0.8714
1165 JZ2 0.8714
1166 4JJ 0.8714
1167 HJP 0.8714
1168 4CL 0.8713
1169 7FU 0.8713
1170 9NB 0.8712
1171 LXC 0.8710
1172 7WV 0.8708
1173 DPT 0.8705
1174 PEL 0.8705
1175 TC7 0.8704
1176 HBI 0.8703
1177 7MK 0.8702
1178 ZZ8 0.8702
1179 RUY 0.8701
1180 OKG 0.8701
1181 SJK 0.8700
1182 P4B 0.8700
1183 680 0.8699
1184 BHQ 0.8699
1185 BR9 0.8699
1186 MXD 0.8699
1187 6DP 0.8698
1188 K37 0.8698
1189 BSP 0.8698
1190 3RI 0.8697
1191 1XN 0.8697
1192 1WD 0.8696
1193 FA1 0.8696
1194 XBZ 0.8695
1195 3N1 0.8692
1196 XI7 0.8691
1197 K5W 0.8691
1198 MHK 0.8688
1199 IDM 0.8688
1200 2GQ 0.8687
1201 1SA 0.8687
1202 4HO 0.8686
1203 EQT 0.8684
1204 0R0 0.8684
1205 EWG 0.8682
1206 2FT 0.8681
1207 QOS 0.8681
1208 MFZ 0.8681
1209 K7H 0.8681
1210 4NS 0.8680
1211 2YU 0.8680
1212 IND 0.8679
1213 BZQ 0.8679
1214 KMH 0.8679
1215 RSO 0.8678
1216 MNP 0.8677
1217 1DV 0.8676
1218 XYD 0.8675
1219 3RK 0.8675
1220 BIO 0.8674
1221 YIE 0.8673
1222 5MH 0.8673
1223 FBV 0.8672
1224 MWM 0.8672
1225 AW5 0.8670
1226 YIO 0.8669
1227 DEN 0.8668
1228 5F5 0.8668
1229 GOE 0.8667
1230 E1K 0.8667
1231 0GZ 0.8666
1232 JXN 0.8665
1233 6L6 0.8664
1234 2AC 0.8663
1235 R1P 0.8663
1236 D1X 0.8663
1237 C82 0.8662
1238 GGB 0.8661
1239 L46 0.8660
1240 3HG 0.8660
1241 KMT 0.8659
1242 1XA 0.8659
1243 BZI 0.8658
1244 67X 0.8658
1245 7A2 0.8656
1246 GZQ 0.8654
1247 ZVO 0.8654
1248 SSB 0.8653
1249 1MC 0.8651
1250 1GN 0.8651
1251 7VJ 0.8650
1252 KBB 0.8650
1253 NTN 0.8649
1254 MBG 0.8649
1255 LAO 0.8647
1256 GIF 0.8645
1257 7D2 0.8645
1258 VGL 0.8645
1259 UFV 0.8644
1260 4ZE 0.8643
1261 PLP 0.8643
1262 LZ1 0.8642
1263 AJ1 0.8641
1264 5OF 0.8640
1265 HPT 0.8639
1266 GRE 0.8639
1267 PMP 0.8639
1268 275 0.8638
1269 LL1 0.8638
1270 34A 0.8637
1271 49O 0.8637
1272 QQQ 0.8636
1273 2MP 0.8633
1274 BVA 0.8633
1275 PYD 0.8632
1276 AGK 0.8631
1277 JZ3 0.8631
1278 Y8I 0.8631
1279 M1Z 0.8631
1280 BA5 0.8630
1281 4JP 0.8629
1282 MZM 0.8629
1283 DOR 0.8629
1284 JBQ 0.8628
1285 78Y 0.8626
1286 8XQ 0.8625
1287 0R1 0.8625
1288 GGL 0.8625
1289 URF 0.8624
1290 QSC 0.8622
1291 GLN 0.8620
1292 OTD 0.8619
1293 ZSP 0.8618
1294 7WG 0.8618
1295 0CT 0.8618
1296 FWD 0.8616
1297 KGK 0.8615
1298 K68 0.8613
1299 6MW 0.8612
1300 P84 0.8611
1301 MT0 0.8611
1302 DDU 0.8611
1303 B21 0.8610
1304 RKV 0.8609
1305 FB1 0.8608
1306 BZF 0.8607
1307 6X9 0.8606
1308 HNQ 0.8606
1309 9PY 0.8604
1310 XXG 0.8604
1311 K25 0.8604
1312 HT4 0.8603
1313 G1P 0.8603
1314 MPI 0.8601
1315 5VJ 0.8601
1316 HFA 0.8599
1317 GVH 0.8599
1318 A1U 0.8595
1319 67Y 0.8595
1320 ICP 0.8593
1321 K22 0.8591
1322 TDR 0.8591
1323 6E8 0.8590
1324 TLD 0.8587
1325 43M 0.8586
1326 6F0 0.8586
1327 T6C 0.8586
1328 39A 0.8585
1329 TIY 0.8585
1330 LSA 0.8584
1331 H4B 0.8579
1332 495 0.8579
1333 WBU 0.8578
1334 ORN 0.8576
1335 SD4 0.8574
1336 IPD 0.8573
1337 TM7 0.8573
1338 CEE 0.8572
1339 NHG 0.8572
1340 BNT 0.8571
1341 RSV 0.8571
1342 CCV 0.8566
1343 3SK 0.8566
1344 F5C 0.8566
1345 S7S 0.8565
1346 QBS 0.8561
1347 A5P 0.8558
1348 5UC 0.8557
1349 3XH 0.8555
1350 2LW 0.8555
1351 PFF 0.8552
1352 JAH 0.8551
1353 G1O 0.8549
1354 M5N 0.8549
1355 ADE 0.8547
1356 DC5 0.8547
1357 IDH 0.8546
1358 A5H 0.8545
1359 DAH 0.8541
1360 KW8 0.8541
1361 HQ9 0.8537
1362 7UC 0.8529
1363 EPR 0.8529
1364 LTT 0.8528
1365 S0G 0.8520
1366 CNI 0.8517
1367 8YH 0.8512
1368 449 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JJF; Ligand: FE9; 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: 4jjf.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JJF; Ligand: FE9; 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: 4jjf.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4JJF; Ligand: N2I; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4jjf.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4JJF; Ligand: N2I; 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: 4jjf.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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