Receptor
PDB id Resolution Class Description Source Keywords
3PCF 2.15 Å EC: 1.13.11.3 STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH HYDROXYBENZOATE PSEUDOMONAS PUTIDA DIOXYGENASE IRON NONHEME METALLOPROTEIN OXIDOREDUCTASE COMPLEX
Ref.: STRUCTURES OF COMPETITIVE INHIBITOR COMPLEXES OF PROTOCATECHUATE 3,4-DIOXYGENASE: MULTIPLE EXOGENOUS BINDING ORIENTATIONS WITHIN THE ACTIVE SITE. BIOCHEMISTRY V. 36 10039 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME M:601;
N:601;
O:601;
P:601;
Q:601;
R:601;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S C(CS)...
FE M:600;
N:600;
O:600;
P:600;
Q:600;
R:600;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
55.845 Fe [Fe+3...
FHB M:550;
M:551;
N:550;
N:551;
O:550;
O:551;
P:550;
P:551;
Q:550;
Q:551;
R:550;
R:551;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 Ki = 0.9 uM
156.111 C7 H5 F O3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PCJ 2.13 Å EC: 1.13.11.3 STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH HYDROXYISONICOTINIC ACID N-OXIDE PSEUDOMONAS PUTIDA DIOXYGENASE IRON NONHEME METALLOPROTEIN OXIDOREDUCTASE TRANSITION-STATE ANALOG COMPLEX
Ref.: CRYSTAL STRUCTURES OF SUBSTRATE AND SUBSTRATE ANALO COMPLEXES OF PROTOCATECHUATE 3,4-DIOXYGENASE: ENDOG FE3+ LIGAND DISPLACEMENT IN RESPONSE TO SUBSTRATE B BIOCHEMISTRY V. 36 10052 1997
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3PCJ Kd = 0.06 uM INO C6 H5 N O4 c1c[n+](c(....
2 3PCN Kd = 220 uM DHY C8 H8 O4 c1cc(c(cc1....
3 1YKN - DHB C7 H6 O4 c1cc(c(cc1....
4 1YKL Kd = 57 uM DHB C7 H6 O4 c1cc(c(cc1....
5 3PCL - INO C6 H5 N O4 c1c[n+](c(....
6 3PCK Kd = 0.2 uM NNO C6 H5 N O4 c1cc([n+](....
7 1YKP Kd = 1100 uM DHB C7 H6 O4 c1cc(c(cc1....
8 3PCH Ki = 4 uM CHB C7 H5 Cl O3 c1cc(c(cc1....
9 3PCM - NNO C6 H5 N O4 c1cc([n+](....
10 3PCE Ki = 10 mM 3HP C8 H8 O3 c1cc(cc(c1....
11 3PCA - DHB C7 H6 O4 c1cc(c(cc1....
12 3PCF Ki = 0.9 uM FHB C7 H5 F O3 c1cc(c(cc1....
13 3PCB Ki = 4 mM 3HB C7 H6 O3 c1cc(cc(c1....
14 3PCG Ki = 5 mM 4HP C8 H8 O3 c1cc(ccc1C....
15 3PCC Ki = 240 uM PHB C7 H6 O3 c1cc(ccc1C....
16 3PCI - IHB C7 H5 I O3 c1cc(c(cc1....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3PCJ Kd = 0.06 uM INO C6 H5 N O4 c1c[n+](c(....
2 3PCN Kd = 220 uM DHY C8 H8 O4 c1cc(c(cc1....
3 1YKN - DHB C7 H6 O4 c1cc(c(cc1....
4 1YKL Kd = 57 uM DHB C7 H6 O4 c1cc(c(cc1....
5 3PCL - INO C6 H5 N O4 c1c[n+](c(....
6 3PCK Kd = 0.2 uM NNO C6 H5 N O4 c1cc([n+](....
7 1YKP Kd = 1100 uM DHB C7 H6 O4 c1cc(c(cc1....
8 3PCH Ki = 4 uM CHB C7 H5 Cl O3 c1cc(c(cc1....
9 3PCM - NNO C6 H5 N O4 c1cc([n+](....
10 3PCE Ki = 10 mM 3HP C8 H8 O3 c1cc(cc(c1....
11 3PCA - DHB C7 H6 O4 c1cc(c(cc1....
12 3PCF Ki = 0.9 uM FHB C7 H5 F O3 c1cc(c(cc1....
13 3PCB Ki = 4 mM 3HB C7 H6 O3 c1cc(cc(c1....
14 3PCG Ki = 5 mM 4HP C8 H8 O3 c1cc(ccc1C....
15 3PCC Ki = 240 uM PHB C7 H6 O3 c1cc(ccc1C....
16 3PCI - IHB C7 H5 I O3 c1cc(c(cc1....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3PCJ Kd = 0.06 uM INO C6 H5 N O4 c1c[n+](c(....
2 3PCN Kd = 220 uM DHY C8 H8 O4 c1cc(c(cc1....
3 1YKN - DHB C7 H6 O4 c1cc(c(cc1....
4 1YKL Kd = 57 uM DHB C7 H6 O4 c1cc(c(cc1....
5 3PCL - INO C6 H5 N O4 c1c[n+](c(....
6 3PCK Kd = 0.2 uM NNO C6 H5 N O4 c1cc([n+](....
7 1YKP Kd = 1100 uM DHB C7 H6 O4 c1cc(c(cc1....
8 3PCH Ki = 4 uM CHB C7 H5 Cl O3 c1cc(c(cc1....
9 3PCM - NNO C6 H5 N O4 c1cc([n+](....
10 3PCE Ki = 10 mM 3HP C8 H8 O3 c1cc(cc(c1....
11 3PCA - DHB C7 H6 O4 c1cc(c(cc1....
12 3PCF Ki = 0.9 uM FHB C7 H5 F O3 c1cc(c(cc1....
13 3PCB Ki = 4 mM 3HB C7 H6 O3 c1cc(cc(c1....
14 3PCG Ki = 5 mM 4HP C8 H8 O3 c1cc(ccc1C....
15 3PCC Ki = 240 uM PHB C7 H6 O3 c1cc(ccc1C....
16 3PCI - IHB C7 H5 I O3 c1cc(c(cc1....
17 2BUR - PHB C7 H6 O3 c1cc(ccc1C....
18 2BUQ - CAQ C6 H6 O2 c1ccc(c(c1....
19 1EOB - DHB C7 H6 O4 c1cc(c(cc1....
20 2BUV Kd = 100 uM DHB C7 H6 O4 c1cc(c(cc1....
21 1EOC Ki = 0.9 uM 4NC C6 H5 N O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FHB; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 FHB 1 1
2 DHB 0.514286 0.72
3 QSB 0.513514 0.913043
4 CHB 0.473684 0.913043
5 IHB 0.473684 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: FHB; Similar ligands found: 1320
No: Ligand Similarity coefficient
1 4A3 1.0000
2 2HO 1.0000
3 JLZ 1.0000
4 4NC 1.0000
5 XX2 1.0000
6 NNO 1.0000
7 MYJ 1.0000
8 3HM 1.0000
9 93K 1.0000
10 P9P 1.0000
11 INO 1.0000
12 9TW 0.9997
13 3HB 0.9786
14 HBD 0.9780
15 PHB 0.9771
16 4CS 0.9760
17 PAB 0.9744
18 F31 0.9743
19 GDE 0.9735
20 8WO 0.9729
21 VNL 0.9727
22 NPO 0.9723
23 4MA 0.9720
24 GAB 0.9719
25 WCE 0.9714
26 SKM 0.9711
27 1Y6 0.9710
28 PBZ 0.9697
29 3NT 0.9691
30 0HN 0.9690
31 0HO 0.9689
32 4FH 0.9683
33 OVV 0.9673
34 4XR 0.9670
35 826 0.9668
36 3AB 0.9658
37 X0V 0.9656
38 4AA 0.9650
39 4ZA 0.9644
40 6NT 0.9639
41 P72 0.9637
42 AC6 0.9637
43 DHK 0.9635
44 NMJ 0.9631
45 3A9 0.9630
46 5HN 0.9629
47 174 0.9628
48 8GC 0.9626
49 53C 0.9619
50 2ZM 0.9615
51 3NY 0.9613
52 2HU 0.9611
53 BRT 0.9611
54 QSH 0.9611
55 5WV 0.9605
56 3PF 0.9604
57 JAW 0.9603
58 BGC 0.9602
59 J9Q 0.9601
60 Z82 0.9600
61 ABI 0.9598
62 E7Z 0.9597
63 FGZ 0.9593
64 1F1 0.9588
65 EKZ 0.9587
66 SW7 0.9584
67 IFP 0.9582
68 KOJ 0.9581
69 GYE 0.9580
70 4P5 0.9579
71 ISN 0.9578
72 4SX 0.9577
73 5QY 0.9577
74 KKN 0.9576
75 4WL 0.9575
76 4Z4 0.9574
77 5NI 0.9571
78 ES7 0.9564
79 LDP 0.9561
80 3BZ 0.9557
81 6NI 0.9554
82 JDN 0.9541
83 FA0 0.9536
84 J9T 0.9533
85 JB8 0.9529
86 3ID 0.9527
87 L99 0.9525
88 GZL 0.9524
89 G3E 0.9517
90 TWO 0.9517
91 BZ2 0.9512
92 BEZ 0.9512
93 PHU 0.9509
94 M2K 0.9508
95 5OB 0.9507
96 DMD 0.9502
97 LT2 0.9501
98 HX3 0.9500
99 D48 0.9500
100 GLC 0.9500
101 4M0 0.9498
102 5XC 0.9497
103 12Q 0.9497
104 7W4 0.9495
105 H42 0.9494
106 E5X 0.9494
107 M4T 0.9493
108 CFI 0.9492
109 86J 0.9489
110 VXX 0.9487
111 97T 0.9486
112 J5I 0.9486
113 NCA 0.9479
114 BZ3 0.9476
115 ICO 0.9473
116 2AL 0.9473
117 BDP 0.9471
118 DOB 0.9470
119 7W1 0.9470
120 5RN 0.9469
121 SE2 0.9469
122 3HA 0.9469
123 BHA 0.9468
124 5QX 0.9466
125 HQT 0.9464
126 TTL 0.9464
127 HIS 0.9464
128 KJH 0.9463
129 R8V 0.9462
130 V55 0.9458
131 HQJ 0.9458
132 BEN 0.9456
133 2HQ 0.9453
134 HA5 0.9453
135 5CU 0.9447
136 5RO 0.9447
137 GTQ 0.9447
138 AZ9 0.9446
139 DBH 0.9444
140 AHR 0.9444
141 3F0 0.9443
142 ISZ 0.9442
143 HDH 0.9441
144 069 0.9439
145 DIN 0.9435
146 SKA 0.9435
147 HBA 0.9433
148 6PC 0.9433
149 67N 0.9432
150 PZI 0.9431
151 BE2 0.9428
152 SAL 0.9427
153 PBC 0.9423
154 COU 0.9422
155 ICB 0.9422
156 BAM 0.9422
157 5RG 0.9420
158 E1T 0.9417
159 15N 0.9416
160 HQD 0.9414
161 M1A 0.9414
162 PNZ 0.9414
163 BPN 0.9414
164 6RQ 0.9413
165 0JD 0.9413
166 EA1 0.9409
167 FAN 0.9409
168 ANN 0.9408
169 CWS 0.9405
170 ORO 0.9405
171 5M0 0.9404
172 KUF 0.9403
173 OAA 0.9402
174 OCH 0.9401
175 2BG 0.9400
176 A7W 0.9400
177 Q88 0.9400
178 FBW 0.9399
179 03V 0.9398
180 DNF 0.9397
181 AC0 0.9397
182 GTR 0.9397
183 0P6 0.9396
184 6CS 0.9396
185 EUG 0.9395
186 3OC 0.9394
187 5NU 0.9393
188 D1X 0.9393
189 1LQ 0.9392
190 4M4 0.9392
191 4SV 0.9392
192 4FS 0.9390
193 ES5 0.9389
194 4XV 0.9389
195 NIO 0.9389
196 ET2 0.9387
197 AX7 0.9387
198 XIY 0.9387
199 52C 0.9387
200 92K 0.9386
201 15L 0.9386
202 4FA 0.9386
203 L5V 0.9385
204 54G 0.9385
205 YCP 0.9385
206 3MB 0.9383
207 ES0 0.9381
208 QWN 0.9380
209 CWM 0.9379
210 4HM 0.9379
211 RSO 0.9379
212 NOJ 0.9378
213 2AQ 0.9377
214 ABV 0.9377
215 0N7 0.9376
216 1SQ 0.9374
217 4BZ 0.9374
218 FE DB1 0.9373
219 OVM 0.9371
220 MS9 0.9370
221 DYA 0.9370
222 BHO 0.9370
223 TPA 0.9369
224 MLT 0.9369
225 JB5 0.9367
226 FBB 0.9366
227 LNR 0.9366
228 BEA 0.9366
229 9TZ 0.9366
230 NBZ 0.9366
231 4J8 0.9363
232 UFV 0.9361
233 F0J 0.9360
234 UNU 0.9359
235 3M0 0.9357
236 9FE 0.9356
237 173 0.9356
238 5SG 0.9355
239 TYL 0.9355
240 1NP 0.9355
241 XM0 0.9355
242 7WR 0.9354
243 0F9 0.9354
244 5IQ 0.9352
245 K2T 0.9351
246 270 0.9351
247 TSU 0.9351
248 NTN 0.9351
249 JBH 0.9350
250 ES2 0.9350
251 N5J 0.9350
252 FP1 0.9349
253 MRW 0.9349
254 SAN 0.9348
255 JBK 0.9346
256 SOE 0.9344
257 CLW 0.9343
258 ES6 0.9343
259 45L 0.9341
260 TIU 0.9341
261 8CM 0.9339
262 ESX 0.9338
263 34D 0.9338
264 PIM 0.9338
265 JPZ 0.9337
266 2MI 0.9336
267 3IT 0.9335
268 QXW 0.9335
269 24W 0.9334
270 1M2 0.9333
271 2FY 0.9333
272 92P 0.9332
273 MQN 0.9332
274 1P7 0.9332
275 JAE 0.9331
276 1LM 0.9330
277 FBS 0.9330
278 SS1 0.9330
279 ES1 0.9328
280 8WT 0.9328
281 AW5 0.9327
282 TH7 0.9327
283 PZA 0.9326
284 9FL 0.9323
285 O72 0.9323
286 4YS 0.9321
287 5MK 0.9321
288 OXC 0.9320
289 4XS 0.9320
290 FOT 0.9320
291 717 0.9320
292 6TZ 0.9320
293 4JQ 0.9316
294 GLU 0.9316
295 FCR 0.9315
296 0W8 0.9315
297 OGA 0.9314
298 36R 0.9312
299 I3A 0.9311
300 9CA 0.9308
301 1P8 0.9308
302 A29 0.9307
303 4VP 0.9307
304 1IT 0.9306
305 2HC 0.9306
306 SLS 0.9305
307 PXL 0.9303
308 GVG 0.9302
309 5Q0 0.9300
310 DGJ 0.9300
311 2A9 0.9300
312 XQ0 0.9300
313 PIY 0.9297
314 MSR 0.9297
315 AL0 0.9296
316 261 0.9295
317 DHR 0.9294
318 NIZ 0.9294
319 CTL 0.9294
320 IV2 0.9293
321 2K4 0.9293
322 F9Y 0.9290
323 C2Y 0.9290
324 VGL 0.9290
325 F60 0.9289
326 3U4 0.9289
327 Q6T 0.9289
328 DOR 0.9287
329 PEA 0.9287
330 7HQ 0.9286
331 SX1 0.9286
332 14O 0.9284
333 G3F 0.9283
334 8S0 0.9283
335 HQY 0.9282
336 ESI 0.9281
337 HMH 0.9280
338 JBE 0.9278
339 QUZ 0.9278
340 QIC 0.9278
341 7MU 0.9277
342 K97 0.9277
343 82I 0.9277
344 BZX 0.9276
345 6M9 0.9275
346 0TU 0.9274
347 HC4 0.9273
348 2D0 0.9270
349 HHA 0.9270
350 P92 0.9269
351 12T 0.9269
352 DHS 0.9269
353 OW4 0.9268
354 ASO 0.9267
355 4YO 0.9265
356 AEF 0.9265
357 5B1 0.9264
358 GAL 0.9264
359 FBM 0.9264
360 6FZ 0.9264
361 5H1 0.9263
362 51R 0.9263
363 6AI 0.9263
364 JKE 0.9263
365 UNC 0.9262
366 ZXD 0.9261
367 4NM 0.9261
368 JFJ 0.9260
369 2LY 0.9259
370 42J 0.9258
371 3XX 0.9258
372 PAC 0.9258
373 NPY 0.9258
374 GCU 0.9258
375 FYU 0.9257
376 5MI 0.9254
377 SHA 0.9254
378 XXG 0.9253
379 7NI 0.9251
380 BE7 0.9249
381 H8N 0.9248
382 CN0 0.9246
383 SYV 0.9246
384 42C 0.9244
385 CXF 0.9243
386 8ZE 0.9243
387 F9P 0.9243
388 AMS 0.9242
389 5VM 0.9241
390 YRL 0.9240
391 VGD 0.9240
392 GUA 0.9237
393 CPZ 0.9236
394 ODO 0.9236
395 ADA 0.9235
396 DE5 0.9234
397 LMR 0.9232
398 FA1 0.9231
399 11S 0.9230
400 CH9 0.9227
401 N8Y 0.9225
402 149 0.9225
403 TZF 0.9223
404 GCS 0.9223
405 5LA 0.9222
406 5MB 0.9222
407 C1M 0.9221
408 XCZ 0.9221
409 RM1 0.9220
410 1PT 0.9220
411 MCT 0.9219
412 R20 0.9219
413 ONR 0.9218
414 2H5 0.9218
415 15E 0.9217
416 39O 0.9216
417 8XL 0.9211
418 OK7 0.9210
419 4ME 0.9210
420 MR1 0.9209
421 SNU 0.9208
422 KJU 0.9207
423 3Z8 0.9206
424 AKG 0.9206
425 F4E 0.9205
426 F05 0.9205
427 K34 0.9204
428 4XH 0.9204
429 2FG 0.9204
430 URC 0.9203
431 4JM 0.9202
432 IPB 0.9200
433 I1E 0.9199
434 IJZ 0.9198
435 MWJ 0.9197
436 0W1 0.9196
437 GIV 0.9195
438 AKH 0.9194
439 9ZE 0.9193
440 HJP 0.9193
441 MAJ 0.9192
442 ASC 0.9191
443 NDH 0.9190
444 MZG 0.9190
445 OTR 0.9189
446 M1Q 0.9188
447 9EW 0.9184
448 4JT 0.9184
449 23A 0.9183
450 KT7 0.9183
451 G4D 0.9182
452 1P3 0.9182
453 ZYR 0.9182
454 TTY 0.9179
455 GF4 0.9179
456 PD2 0.9178
457 AAS 0.9178
458 0RW 0.9178
459 ADE 0.9178
460 HH8 0.9177
461 4HO 0.9177
462 27Y 0.9177
463 EXD 0.9176
464 XBZ 0.9175
465 JG8 0.9174
466 5JC 0.9173
467 1MC 0.9173
468 0FK 0.9172
469 FK1 0.9172
470 SN4 0.9172
471 PRZ 0.9172
472 8HC 0.9170
473 7B4 0.9170
474 MBG 0.9167
475 SVN 0.9166
476 IT2 0.9166
477 QSC 0.9165
478 DHY 0.9165
479 259 0.9164
480 6M4 0.9164
481 OVP 0.9163
482 ES9 0.9163
483 J9W 0.9163
484 4CL 0.9162
485 M58 0.9160
486 RAT 0.9159
487 2HG 0.9159
488 2AC 0.9158
489 AJ2 0.9157
490 KBB 0.9155
491 FQI 0.9154
492 AJV 0.9154
493 XHP 0.9153
494 H4N 0.9152
495 4JJ 0.9152
496 SWD 0.9152
497 M4E 0.9151
498 J9N 0.9151
499 75K 0.9151
500 B62 0.9150
501 AMC 0.9150
502 LZM 0.9149
503 UNJ 0.9149
504 7WV 0.9148
505 K5W 0.9147
506 GLA 0.9147
507 APZ 0.9146
508 2FQ 0.9146
509 IF7 0.9146
510 XYD 0.9145
511 BR9 0.9145
512 34A 0.9145
513 S2G 0.9145
514 QWW 0.9144
515 2CK 0.9144
516 PDC 0.9142
517 Z5P 0.9141
518 42A 0.9139
519 ADZ 0.9139
520 TGX 0.9138
521 QBK 0.9137
522 GAF 0.9135
523 QX2 0.9134
524 4ZE 0.9134
525 JA8 0.9134
526 URF 0.9134
527 AZ8 0.9134
528 MPV 0.9133
529 5MH 0.9132
530 36E 0.9132
531 JZ2 0.9131
532 M0W 0.9129
533 FBA 0.9128
534 Q24 0.9127
535 M1H 0.9127
536 EYK 0.9125
537 1WD 0.9124
538 TH0 0.9124
539 3FH 0.9124
540 AJY 0.9123
541 FB2 0.9121
542 N2I 0.9120
543 PEY 0.9120
544 WBU 0.9120
545 2MP 0.9120
546 5GU 0.9120
547 GJP 0.9119
548 44W 0.9119
549 P3K 0.9119
550 LGC 0.9119
551 PE0 0.9118
552 PBA 0.9118
553 1A7 0.9117
554 TDR 0.9117
555 A1U 0.9117
556 MWM 0.9116
557 HPA 0.9116
558 FA3 0.9115
559 8H8 0.9114
560 1GN 0.9113
561 XYP 0.9113
562 OTW 0.9112
563 C2U 0.9110
564 DQU 0.9110
565 A13 0.9110
566 2YU 0.9110
567 XAZ 0.9109
568 1DW 0.9107
569 RHU 0.9105
570 94W 0.9103
571 BSX 0.9103
572 TSS 0.9103
573 PYF 0.9102
574 NSP 0.9102
575 43M 0.9101
576 QOS 0.9100
577 F12 0.9099
578 8G0 0.9098
579 OMD 0.9098
580 2O6 0.9097
581 M6N 0.9097
582 GRE 0.9097
583 G2F 0.9097
584 LXC 0.9097
585 N3W 0.9096
586 FDB 0.9095
587 6ME 0.9095
588 JND 0.9095
589 4RU 0.9094
590 MUA 0.9094
591 M3H 0.9092
592 FBV 0.9092
593 G6D 0.9092
594 TOF 0.9091
595 6KT 0.9090
596 B57 0.9089
597 7VS 0.9089
598 HT4 0.9089
599 AY4 0.9088
600 0FO 0.9088
601 FPI 0.9088
602 MEW 0.9087
603 R9S 0.9087
604 FDR 0.9086
605 1HN 0.9085
606 4HC 0.9085
607 M0Q 0.9085
608 XX3 0.9084
609 HBX 0.9083
610 428 0.9083
611 ASP 0.9083
612 AX3 0.9083
613 TM7 0.9081
614 KTA 0.9081
615 2EC 0.9081
616 A5E 0.9080
617 PMB 0.9080
618 9R5 0.9080
619 ICP 0.9078
620 KYA 0.9077
621 M5K 0.9077
622 4MU 0.9077
623 5WY 0.9077
624 DEN 0.9077
625 X6X 0.9076
626 PJW 0.9076
627 5JQ 0.9075
628 QPR 0.9074
629 8NY 0.9074
630 PYD 0.9074
631 4JL 0.9074
632 KDV 0.9072
633 HLZ 0.9072
634 AQO 0.9072
635 C2B 0.9071
636 TCA 0.9071
637 MWP 0.9070
638 CTS 0.9070
639 10L 0.9069
640 ORN 0.9069
641 NID 0.9068
642 G5V 0.9067
643 HPS 0.9067
644 6M1 0.9067
645 Y8I 0.9066
646 INE 0.9065
647 37T 0.9065
648 DBX 0.9065
649 VNJ 0.9065
650 DHQ 0.9065
651 FB1 0.9063
652 N2Z 0.9062
653 HLR 0.9062
654 NCT 0.9062
655 GUN 0.9062
656 AMH 0.9061
657 BTY 0.9061
658 GXL 0.9061
659 IWT 0.9061
660 HHI 0.9059
661 HMU 0.9058
662 CWJ 0.9057
663 SRT 0.9057
664 M1E 0.9056
665 GLN 0.9056
666 XAN 0.9056
667 3Z7 0.9056
668 3DM 0.9055
669 0R0 0.9055
670 GXY 0.9055
671 XQG 0.9054
672 4BL 0.9054
673 8TX 0.9054
674 S76 0.9054
675 NK 0.9053
676 4NB 0.9053
677 4ZC 0.9051
678 5UC 0.9050
679 36Y 0.9050
680 3DO 0.9048
681 BPY 0.9048
682 KJY 0.9047
683 4BY 0.9046
684 EVA 0.9046
685 2CQ 0.9045
686 1KP 0.9044
687 JZ3 0.9044
688 IAC 0.9044
689 8NX 0.9043
690 6MP 0.9043
691 DIU 0.9043
692 OHP 0.9042
693 2LP 0.9040
694 H4E 0.9040
695 AZA 0.9040
696 0FN 0.9040
697 IND 0.9040
698 QX4 0.9038
699 QY9 0.9035
700 LQ2 0.9033
701 EDR 0.9032
702 RIB 0.9030
703 9MG 0.9029
704 SHG 0.9028
705 44V 0.9027
706 ZZT 0.9026
707 PEP 0.9026
708 XBT 0.9026
709 8OZ 0.9025
710 IFL 0.9021
711 4AV 0.9021
712 M45 0.9021
713 4JC 0.9017
714 2A7 0.9015
715 9DA 0.9015
716 9DG 0.9015
717 2F6 0.9015
718 GV9 0.9014
719 3ZB 0.9014
720 B55 0.9014
721 ABN 0.9013
722 0BP 0.9012
723 DNC 0.9012
724 NAG 0.9012
725 MJ2 0.9011
726 150 0.9011
727 LZ1 0.9010
728 14J 0.9010
729 M4S 0.9009
730 2AK 0.9009
731 32X 0.9009
732 9HX 0.9008
733 FUD 0.9008
734 I3E 0.9007
735 25W 0.9006
736 XXP 0.9005
737 XRG 0.9004
738 495 0.9004
739 BZI 0.9004
740 FDK 0.9003
741 6F0 0.9003
742 Q02 0.9003
743 BCU 0.9002
744 R8S 0.9001
745 VOH 0.8999
746 F81 0.8998
747 BZF 0.8998
748 E7S 0.8997
749 RMN 0.8997
750 4TU 0.8996
751 FBU 0.8996
752 MVN 0.8994
753 GCB 0.8994
754 EOL 0.8992
755 7WA 0.8992
756 SYN 0.8992
757 IGA 0.8992
758 7HP 0.8991
759 4JO 0.8991
760 PO6 0.8990
761 BP1 0.8989
762 LCN 0.8989
763 SOR 0.8989
764 PY7 0.8988
765 AN3 0.8986
766 1XN 0.8985
767 RXA 0.8984
768 EGR 0.8984
769 24B 0.8984
770 1AL 0.8981
771 268 0.8981
772 BTE 0.8981
773 3SK 0.8981
774 NQ 0.8980
775 TLD 0.8980
776 XDE 0.8978
777 VK3 0.8977
778 9KT 0.8974
779 TT4 0.8974
780 1SA 0.8974
781 PKU 0.8973
782 7WG 0.8971
783 NOY 0.8971
784 IDM 0.8971
785 3AL 0.8970
786 DEE 0.8970
787 141 0.8969
788 PHE 0.8969
789 7ZE 0.8968
790 A2F 0.8968
791 SWA 0.8968
792 MT0 0.8967
793 T6C 0.8964
794 CFP 0.8962
795 GIF 0.8961
796 H7Y 0.8960
797 COI 0.8958
798 8NB 0.8958
799 7MX 0.8957
800 MPI 0.8957
801 L22 0.8956
802 HH5 0.8955
803 IUR 0.8954
804 KBZ 0.8954
805 JYB 0.8954
806 CXH 0.8953
807 BNS 0.8953
808 6GU 0.8953
809 EVF 0.8951
810 4V2 0.8951
811 GAG 0.8951
812 PYQ 0.8950
813 7ME 0.8950
814 QMP 0.8950
815 BNL 0.8950
816 JTH 0.8949
817 CFF 0.8948
818 YIO 0.8948
819 6AP 0.8945
820 SNO 0.8945
821 3R6 0.8942
822 J6W 0.8939
823 BNF 0.8939
824 1WG 0.8938
825 ES4 0.8938
826 HIO 0.8937
827 GVH 0.8936
828 ZBT 0.8936
829 8W9 0.8935
830 TEP 0.8935
831 3SL 0.8935
832 LI6 0.8933
833 C21 0.8933
834 MZB 0.8933
835 6R8 0.8932
836 NBE 0.8931
837 3QM 0.8930
838 AZG 0.8930
839 DX4 0.8930
840 UAN 0.8929
841 0CT 0.8929
842 M1Z 0.8928
843 209 0.8928
844 DRL 0.8928
845 PQK 0.8926
846 HZQ 0.8924
847 B53 0.8923
848 290 0.8923
849 282 0.8922
850 F4Z 0.8922
851 3MG 0.8922
852 SYA 0.8921
853 0R1 0.8920
854 DBJ 0.8920
855 GJZ 0.8919
856 FH2 0.8917
857 B85 0.8917
858 2ZQ 0.8916
859 2ZV 0.8916
860 3HP 0.8916
861 EN1 0.8916
862 6QF 0.8915
863 YH7 0.8915
864 TC7 0.8915
865 BZJ 0.8914
866 9X7 0.8914
867 PFB 0.8913
868 35C 0.8912
869 69O 0.8910
870 PM6 0.8910
871 3C4 0.8910
872 LKA 0.8909
873 HY1 0.8906
874 463 0.8906
875 5JL 0.8906
876 27B 0.8906
877 PRA 0.8905
878 AEH 0.8904
879 8IG 0.8904
880 ZZ3 0.8904
881 GZ3 0.8904
882 GO2 0.8903
883 M5H 0.8902
884 PRF 0.8901
885 SJ5 0.8901
886 7VP 0.8900
887 7MH 0.8900
888 PPY 0.8900
889 ALE 0.8900
890 LYL 0.8899
891 H62 0.8899
892 61M 0.8899
893 OXQ 0.8897
894 URS 0.8895
895 GCO 0.8895
896 JIF 0.8892
897 R8A 0.8891
898 PH2 0.8890
899 RB5 0.8890
900 EV0 0.8888
901 DGL 0.8887
902 DA4 0.8886
903 GWM 0.8886
904 ALL 0.8885
905 45C 0.8885
906 BOA 0.8885
907 AS3 0.8883
908 60P 0.8883
909 FUL 0.8883
910 344 0.8881
911 PHH 0.8881
912 2GS 0.8881
913 2DR 0.8881
914 APG 0.8881
915 1XM 0.8880
916 30G 0.8880
917 PXM 0.8879
918 DFB 0.8879
919 258 0.8878
920 HHR 0.8877
921 7N0 0.8877
922 23J 0.8877
923 F5B 0.8876
924 BCP 0.8875
925 FPY 0.8873
926 N7I 0.8873
927 PZM 0.8872
928 3QV 0.8872
929 X05 0.8870
930 SKF 0.8870
931 WOO 0.8869
932 4P0 0.8868
933 IOS 0.8868
934 MAN 0.8867
935 3WA 0.8867
936 KTJ 0.8867
937 PQ0 0.8866
938 SEP 0.8865
939 JZ5 0.8865
940 FK8 0.8864
941 KGK 0.8863
942 5VL 0.8862
943 MO8 0.8861
944 6OT 0.8861
945 5XB 0.8860
946 GBD 0.8860
947 TZC 0.8859
948 H33 0.8858
949 EMZ 0.8855
950 DIE 0.8854
951 C2A 0.8852
952 RAM 0.8852
953 URO 0.8850
954 DFU 0.8850
955 CLZ 0.8849
956 0CU 0.8849
957 XYS 0.8849
958 RNS 0.8847
959 DQA 0.8846
960 13P 0.8846
961 AGK 0.8845
962 MZW 0.8844
963 BP9 0.8844
964 RNO 0.8842
965 HSE 0.8842
966 2PG 0.8840
967 2MH 0.8839
968 JBQ 0.8837
969 RIP 0.8837
970 HX4 0.8835
971 AA 0.8834
972 FF2 0.8834
973 MET 0.8834
974 4JP 0.8833
975 0MK 0.8833
976 BML 0.8832
977 ASN 0.8831
978 JBN 0.8831
979 2K8 0.8830
980 ANF 0.8828
981 HHS 0.8828
982 GZ2 0.8828
983 TLA 0.8828
984 L14 0.8827
985 SRO 0.8827
986 PEL 0.8827
987 EQT 0.8827
988 6VD 0.8826
989 F1A 0.8825
990 NVU 0.8824
991 R2P 0.8824
992 LDU 0.8823
993 ESP 0.8821
994 HSM 0.8820
995 BK9 0.8819
996 IDH 0.8819
997 1L5 0.8818
998 PRO 0.8818
999 6LW 0.8818
1000 TP5 0.8815
1001 FBT 0.8815
1002 4LW 0.8815
1003 R9Y 0.8815
1004 B60 0.8814
1005 HY3 0.8814
1006 XIZ 0.8813
1007 M6Z 0.8812
1008 TBP 0.8812
1009 PA1 0.8811
1010 DMJ 0.8810
1011 1MR 0.8810
1012 2KA 0.8808
1013 2FT 0.8807
1014 9RW 0.8807
1015 JXN 0.8807
1016 ANC 0.8806
1017 1DV 0.8806
1018 OXZ 0.8804
1019 PH3 0.8803
1020 4KL 0.8802
1021 S0E 0.8802
1022 JFD 0.8801
1023 WOT 0.8800
1024 FOA 0.8800
1025 TAG 0.8799
1026 2QC 0.8799
1027 HSO 0.8798
1028 X0U 0.8795
1029 K17 0.8795
1030 SMV 0.8795
1031 URQ 0.8794
1032 KYD 0.8794
1033 3PG 0.8794
1034 KMT 0.8792
1035 4HP 0.8792
1036 OHG 0.8791
1037 3RK 0.8791
1038 FUC 0.8789
1039 ROI 0.8789
1040 BSP 0.8788
1041 OKG 0.8788
1042 286 0.8788
1043 1XA 0.8787
1044 AHB 0.8787
1045 MNM 0.8786
1046 DS0 0.8785
1047 8XQ 0.8785
1048 OW7 0.8784
1049 HDL 0.8783
1050 GIO 0.8783
1051 KBG 0.8782
1052 S7J 0.8781
1053 KMH 0.8780
1054 RUY 0.8780
1055 DGN 0.8779
1056 IFM 0.8779
1057 UFO 0.8779
1058 MAQ 0.8777
1059 APS 0.8777
1060 ZB1 0.8776
1061 A09 0.8775
1062 LR5 0.8774
1063 L7T 0.8774
1064 JZ9 0.8774
1065 95Z 0.8773
1066 PEQ 0.8772
1067 PCA 0.8772
1068 SXS 0.8772
1069 39A 0.8771
1070 XYL 0.8770
1071 P7Y 0.8770
1072 TBS 0.8770
1073 X09 0.8770
1074 H76 0.8770
1075 MNN 0.8766
1076 YPN 0.8766
1077 DNA 0.8765
1078 1DU 0.8765
1079 YZM 0.8765
1080 FRU 0.8764
1081 4NG 0.8763
1082 DX3 0.8763
1083 FUM 0.8763
1084 1X7 0.8762
1085 47J 0.8761
1086 GLT 0.8760
1087 G12 0.8760
1088 12M 0.8760
1089 BMA 0.8759
1090 449 0.8758
1091 PYC 0.8758
1092 GNM 0.8756
1093 TSR 0.8755
1094 SIN 0.8755
1095 FBF 0.8754
1096 HCI 0.8753
1097 LSA 0.8753
1098 FHC 0.8753
1099 2PC 0.8753
1100 D07 0.8752
1101 MAE 0.8752
1102 FCA 0.8750
1103 R2B 0.8750
1104 8U3 0.8750
1105 HHH 0.8749
1106 SVD 0.8747
1107 28N 0.8747
1108 5NE 0.8747
1109 1LN 0.8747
1110 HQE 0.8746
1111 DEW 0.8743
1112 1WC 0.8743
1113 X0W 0.8741
1114 QBM 0.8741
1115 1Z6 0.8740
1116 F4K 0.8740
1117 H5B 0.8739
1118 S24 0.8737
1119 TEO 0.8737
1120 4CH 0.8736
1121 MXN 0.8735
1122 AH8 0.8734
1123 SMN 0.8734
1124 AZF 0.8734
1125 PXY 0.8733
1126 GHM 0.8732
1127 RNT 0.8731
1128 8K2 0.8730
1129 A65 0.8729
1130 PCR 0.8729
1131 RD4 0.8728
1132 4HS 0.8728
1133 M2H 0.8727
1134 YTX 0.8726
1135 ARP 0.8726
1136 SG2 0.8725
1137 CRS 0.8721
1138 505 0.8720
1139 LRH 0.8720
1140 SME 0.8718
1141 M6W 0.8717
1142 DRG 0.8715
1143 O2A 0.8714
1144 1QP 0.8714
1145 20J 0.8713
1146 ARB 0.8713
1147 B5D 0.8711
1148 9YL 0.8711
1149 PRY 0.8710
1150 4VY 0.8710
1151 680 0.8709
1152 0XT 0.8707
1153 363 0.8704
1154 K6X 0.8704
1155 HNQ 0.8704
1156 7VJ 0.8704
1157 PLQ 0.8703
1158 HEW 0.8703
1159 3HG 0.8702
1160 LDR 0.8701
1161 NYL 0.8701
1162 GGL 0.8700
1163 E35 0.8700
1164 LAO 0.8699
1165 NDM 0.8698
1166 0GZ 0.8697
1167 RCO 0.8696
1168 I6G 0.8695
1169 K32 0.8693
1170 LG4 0.8693
1171 SD4 0.8692
1172 HLD 0.8691
1173 FCB 0.8691
1174 TZE 0.8690
1175 SR1 0.8690
1176 2BX 0.8690
1177 X48 0.8689
1178 JU2 0.8689
1179 0TR 0.8688
1180 THA 0.8688
1181 AHN 0.8686
1182 Q71 0.8685
1183 7B3 0.8684
1184 NLE 0.8684
1185 3R4 0.8683
1186 265 0.8683
1187 4I8 0.8682
1188 CXP 0.8682
1189 5NS 0.8681
1190 0VT 0.8681
1191 C9E 0.8681
1192 II6 0.8681
1193 3J8 0.8679
1194 JZ4 0.8679
1195 TAR 0.8678
1196 2D3 0.8678
1197 P9E 0.8677
1198 V1T 0.8677
1199 ALA ALA 0.8677
1200 LZ2 0.8676
1201 25R 0.8676
1202 ADK 0.8675
1203 KFH 0.8675
1204 68A 0.8674
1205 9AP 0.8673
1206 UEG 0.8673
1207 XUL 0.8672
1208 BDF 0.8672
1209 5WX 0.8672
1210 DA1 0.8672
1211 PMF 0.8671
1212 IOL 0.8670
1213 JUG 0.8669
1214 FPN 0.8668
1215 IP0 0.8666
1216 SS2 0.8664
1217 URA 0.8663
1218 M3T 0.8661
1219 G1O 0.8658
1220 DPT 0.8657
1221 3CH 0.8657
1222 Z6J 0.8656
1223 L3Q 0.8655
1224 URP 0.8655
1225 4JN 0.8655
1226 0V5 0.8654
1227 091 0.8651
1228 4A5 0.8651
1229 9UL 0.8651
1230 NGO 0.8648
1231 LEU 0.8648
1232 HKD 0.8648
1233 BPU 0.8646
1234 HGQ 0.8645
1235 MRZ 0.8645
1236 7CZ 0.8645
1237 4NZ 0.8643
1238 6DP 0.8643
1239 ICF 0.8641
1240 HQ9 0.8640
1241 AMG 0.8639
1242 LG3 0.8639
1243 OQC 0.8638
1244 7D2 0.8638
1245 HA7 0.8638
1246 9PY 0.8636
1247 KIB 0.8636
1248 0OC 0.8634
1249 2MN 0.8633
1250 329 0.8633
1251 0LH 0.8632
1252 5TY 0.8629
1253 TYE 0.8628
1254 S2P 0.8628
1255 3BU 0.8628
1256 JAB 0.8628
1257 J1Z 0.8625
1258 3YP 0.8622
1259 5CL 0.8621
1260 X8D 0.8618
1261 MHK 0.8617
1262 ZWZ 0.8617
1263 HXX 0.8617
1264 HG3 0.8616
1265 4H2 0.8616
1266 AIN 0.8613
1267 JP2 0.8608
1268 K22 0.8608
1269 6BL 0.8607
1270 BNT 0.8607
1271 R67 0.8604
1272 B3R 0.8602
1273 MFB 0.8601
1274 F2W 0.8600
1275 3AE 0.8599
1276 DPZ 0.8597
1277 2AS 0.8597
1278 293 0.8596
1279 ABE 0.8596
1280 G3H 0.8595
1281 EUE 0.8592
1282 BQ2 0.8592
1283 FUF 0.8592
1284 LG5 0.8592
1285 P80 0.8591
1286 JF2 0.8588
1287 K8X 0.8586
1288 I4B 0.8585
1289 XQK 0.8585
1290 N0Z 0.8583
1291 GBN 0.8580
1292 HHQ 0.8579
1293 GOJ 0.8579
1294 BVF 0.8577
1295 7MK 0.8569
1296 LYS 0.8569
1297 E3D 0.8566
1298 GLO 0.8565
1299 DHC 0.8565
1300 275 0.8561
1301 PYJ 0.8560
1302 FA6 0.8560
1303 JZ1 0.8560
1304 JF6 0.8558
1305 JR2 0.8555
1306 PGH 0.8553
1307 PEZ 0.8553
1308 CKA 0.8550
1309 E4P 0.8550
1310 TMG 0.8549
1311 OA3 0.8543
1312 AEG 0.8539
1313 APY 0.8537
1314 JRB 0.8532
1315 CIG 0.8530
1316 GP9 0.8529
1317 SHI 0.8527
1318 FHN 0.8527
1319 XCG 0.8526
1320 2TQ 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PCJ; Ligand: INO; 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: 3pcj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3PCJ; Ligand: INO; 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: 3pcj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3PCJ; Ligand: INO; 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: 3pcj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3PCJ; Ligand: INO; 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: 3pcj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3PCJ; Ligand: INO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3pcj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3PCJ; Ligand: INO; 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: 3pcj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3PCJ; Ligand: INO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3pcj.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3PCJ; Ligand: INO; 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: 3pcj.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3PCJ; Ligand: INO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3pcj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3PCJ; Ligand: INO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3pcj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3PCJ; Ligand: INO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3pcj.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3PCJ; Ligand: INO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3pcj.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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