Receptor
PDB id Resolution Class Description Source Keywords
3PCH 2.05 Å EC: 1.13.11.3 STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-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)...
CHB 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 = 4 uM
172.566 C7 H5 Cl O3 c1cc(...
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...
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: CHB; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 CHB 1 1
2 DHB 0.514286 0.72
3 FHB 0.473684 0.913043
4 QSB 0.473684 0.913043
5 IHB 0.473684 0.913043
6 FGZ 0.444444 1
7 3C4 0.439024 0.88
8 174 0.428571 0.681818
9 5JC 0.4 0.772727
Similar Ligands (3D)
Ligand no: 1; Ligand: CHB; Similar ligands found: 1332
No: Ligand Similarity coefficient
1 4NC 1.0000
2 P9P 1.0000
3 9TW 1.0000
4 MYJ 1.0000
5 XX2 1.0000
6 93K 1.0000
7 4A3 1.0000
8 2HO 1.0000
9 JLZ 1.0000
10 3HM 1.0000
11 INO 1.0000
12 NNO 0.9981
13 VNL 0.9836
14 SKM 0.9755
15 4CS 0.9753
16 F31 0.9740
17 WCE 0.9736
18 HBD 0.9732
19 4FH 0.9726
20 BRT 0.9723
21 3HB 0.9721
22 3NT 0.9719
23 8WO 0.9703
24 0HO 0.9703
25 PHB 0.9701
26 GAB 0.9696
27 NPO 0.9689
28 PAB 0.9689
29 GDE 0.9686
30 QSH 0.9673
31 NMJ 0.9673
32 OVV 0.9672
33 ZXD 0.9666
34 DHK 0.9661
35 LNR 0.9654
36 0HN 0.9654
37 X0V 0.9653
38 4MA 0.9653
39 PBZ 0.9649
40 4SX 0.9643
41 826 0.9643
42 1Y6 0.9633
43 53C 0.9632
44 4AA 0.9631
45 P72 0.9630
46 HX3 0.9627
47 3AB 0.9626
48 3BZ 0.9625
49 SW7 0.9618
50 E7Z 0.9616
51 AC6 0.9613
52 8GC 0.9608
53 5HN 0.9606
54 4ZA 0.9605
55 4XR 0.9603
56 EKZ 0.9600
57 4Z4 0.9599
58 IFP 0.9585
59 3A9 0.9584
60 TWO 0.9581
61 KKN 0.9576
62 LDP 0.9571
63 2ZM 0.9571
64 2HU 0.9570
65 Z82 0.9568
66 4WL 0.9557
67 1F1 0.9556
68 JAW 0.9549
69 ABI 0.9548
70 LCN 0.9547
71 6NT 0.9544
72 GYE 0.9544
73 3NY 0.9543
74 BGC 0.9543
75 GZL 0.9540
76 3PF 0.9540
77 ES7 0.9538
78 KOJ 0.9532
79 ISN 0.9525
80 5NI 0.9523
81 5WV 0.9523
82 4P5 0.9521
83 OVM 0.9515
84 CN0 0.9512
85 HQT 0.9512
86 M2K 0.9511
87 V55 0.9509
88 4XV 0.9509
89 5QY 0.9509
90 JDN 0.9507
91 GLC 0.9506
92 3MB 0.9500
93 L99 0.9499
94 6NI 0.9498
95 HQJ 0.9497
96 DMD 0.9494
97 JB8 0.9493
98 VXX 0.9492
99 2A9 0.9491
100 J9T 0.9491
101 4XS 0.9482
102 4M4 0.9481
103 ASC 0.9477
104 3DO 0.9477
105 12Q 0.9475
106 5QX 0.9475
107 EUG 0.9474
108 J9Q 0.9473
109 3ID 0.9471
110 BZ2 0.9471
111 FA0 0.9469
112 G4D 0.9467
113 ASO 0.9462
114 5RN 0.9461
115 7WR 0.9459
116 HDH 0.9458
117 PZI 0.9458
118 D48 0.9457
119 HA5 0.9455
120 F0J 0.9454
121 9FE 0.9454
122 KJH 0.9454
123 PHU 0.9453
124 AL0 0.9452
125 DGJ 0.9452
126 NOY 0.9452
127 BDP 0.9452
128 G3E 0.9452
129 86J 0.9450
130 3OC 0.9449
131 7W4 0.9449
132 NCA 0.9448
133 ICO 0.9447
134 5XC 0.9447
135 DHS 0.9446
136 7W1 0.9443
137 069 0.9442
138 M4T 0.9440
139 4M0 0.9440
140 QWN 0.9440
141 HIS 0.9438
142 SKA 0.9437
143 GTQ 0.9432
144 97T 0.9432
145 RAT 0.9430
146 5OB 0.9430
147 LT2 0.9429
148 54G 0.9425
149 4HM 0.9424
150 J5I 0.9423
151 L5V 0.9422
152 5RO 0.9421
153 DIN 0.9421
154 2AL 0.9421
155 E5X 0.9420
156 5MK 0.9420
157 6CS 0.9419
158 SE2 0.9418
159 QXW 0.9418
160 NOJ 0.9417
161 TTL 0.9417
162 IFL 0.9416
163 5M0 0.9416
164 HBA 0.9416
165 BEN 0.9414
166 HQD 0.9410
167 67N 0.9410
168 8S0 0.9409
169 BZ3 0.9409
170 AW5 0.9408
171 BPN 0.9406
172 OW4 0.9405
173 ADA 0.9401
174 34D 0.9401
175 A7W 0.9401
176 0F9 0.9400
177 2HQ 0.9398
178 R8V 0.9398
179 15N 0.9397
180 3HA 0.9397
181 QIC 0.9395
182 GTR 0.9393
183 BHA 0.9393
184 SX1 0.9392
185 NIO 0.9392
186 ANN 0.9391
187 KUF 0.9391
188 5RG 0.9391
189 DOB 0.9391
190 0JD 0.9390
191 G2F 0.9387
192 IF7 0.9387
193 EOL 0.9386
194 H42 0.9385
195 E1T 0.9383
196 BEZ 0.9383
197 ICB 0.9382
198 Q88 0.9381
199 AZ9 0.9381
200 DBH 0.9381
201 M1A 0.9379
202 PBC 0.9378
203 AHR 0.9378
204 6FZ 0.9375
205 DNF 0.9375
206 COU 0.9372
207 PNZ 0.9372
208 UFV 0.9371
209 6RQ 0.9371
210 ORO 0.9368
211 OAA 0.9368
212 TSU 0.9367
213 AMH 0.9366
214 4BZ 0.9366
215 HHA 0.9366
216 EA1 0.9365
217 4NM 0.9364
218 ONR 0.9363
219 CFI 0.9363
220 1LQ 0.9362
221 3F0 0.9360
222 GLU 0.9358
223 SAL 0.9357
224 0W8 0.9357
225 TPA 0.9356
226 G3F 0.9355
227 3M0 0.9355
228 2BG 0.9355
229 8WT 0.9354
230 GAL 0.9353
231 15L 0.9352
232 03V 0.9351
233 BE2 0.9350
234 XIY 0.9349
235 ES5 0.9348
236 6TZ 0.9346
237 LGC 0.9344
238 BAM 0.9344
239 UNU 0.9343
240 OCH 0.9342
241 4VP 0.9340
242 JBH 0.9339
243 CWS 0.9339
244 CWM 0.9337
245 FE DB1 0.9337
246 FAN 0.9336
247 SLS 0.9335
248 6PC 0.9334
249 JFJ 0.9333
250 ISZ 0.9333
251 5NU 0.9332
252 1SQ 0.9332
253 ES0 0.9331
254 MRW 0.9329
255 9TZ 0.9328
256 92K 0.9328
257 0N7 0.9328
258 D1X 0.9328
259 GUA 0.9328
260 4FS 0.9327
261 FBW 0.9327
262 7MU 0.9326
263 2AQ 0.9326
264 ESI 0.9326
265 42J 0.9325
266 92P 0.9325
267 OXC 0.9324
268 5CU 0.9324
269 FBS 0.9324
270 XX3 0.9323
271 2HC 0.9323
272 AC0 0.9321
273 1LM 0.9321
274 1NP 0.9318
275 MLT 0.9316
276 0P6 0.9315
277 SAN 0.9313
278 M3H 0.9312
279 5IQ 0.9311
280 5SG 0.9310
281 VOH 0.9308
282 1P3 0.9308
283 4J8 0.9308
284 BHO 0.9308
285 4FA 0.9308
286 N5J 0.9302
287 2FG 0.9300
288 H7Y 0.9300
289 JPZ 0.9300
290 XQ0 0.9300
291 NBZ 0.9300
292 52C 0.9299
293 DYA 0.9298
294 ESX 0.9297
295 PZA 0.9297
296 JB5 0.9296
297 ES1 0.9294
298 1IT 0.9293
299 1P7 0.9292
300 4AV 0.9291
301 BEA 0.9289
302 9ZE 0.9288
303 8CM 0.9288
304 173 0.9288
305 C2Y 0.9287
306 PIM 0.9286
307 JAE 0.9285
308 TH7 0.9285
309 CXF 0.9284
310 463 0.9283
311 NTN 0.9283
312 PAC 0.9283
313 SOE 0.9283
314 AX7 0.9281
315 DOR 0.9280
316 45L 0.9280
317 FA1 0.9280
318 8ZE 0.9279
319 4YS 0.9279
320 6M9 0.9279
321 GCS 0.9278
322 FCR 0.9276
323 A29 0.9276
324 ABV 0.9276
325 717 0.9275
326 KBG 0.9275
327 3IT 0.9275
328 5LA 0.9275
329 9FL 0.9273
330 TYL 0.9273
331 IV2 0.9272
332 YCP 0.9270
333 R20 0.9270
334 O72 0.9269
335 9CA 0.9269
336 OVP 0.9268
337 24W 0.9267
338 RSO 0.9266
339 DE5 0.9265
340 5Q0 0.9265
341 51R 0.9264
342 12T 0.9263
343 ET2 0.9263
344 FBB 0.9263
345 ES6 0.9263
346 WOO 0.9262
347 MS9 0.9261
348 270 0.9258
349 1M2 0.9257
350 259 0.9256
351 YIO 0.9256
352 2D0 0.9256
353 PRZ 0.9255
354 AEF 0.9255
355 AAS 0.9254
356 2MI 0.9254
357 4XH 0.9253
358 DHR 0.9252
359 KTA 0.9251
360 TIU 0.9251
361 ALL 0.9250
362 BSX 0.9248
363 K2T 0.9248
364 HC4 0.9247
365 GCU 0.9246
366 SS1 0.9245
367 XCZ 0.9245
368 HMH 0.9245
369 5B1 0.9245
370 7B4 0.9245
371 HH8 0.9244
372 HQY 0.9244
373 MQN 0.9243
374 QSC 0.9242
375 FOT 0.9242
376 SN4 0.9241
377 GVG 0.9241
378 OMD 0.9240
379 YRL 0.9238
380 BE7 0.9238
381 I3A 0.9238
382 39O 0.9237
383 OTR 0.9236
384 N2Z 0.9235
385 3XX 0.9235
386 PD2 0.9233
387 XM0 0.9232
388 2FY 0.9231
389 3U4 0.9230
390 JBK 0.9230
391 14O 0.9229
392 DGL 0.9228
393 4JT 0.9228
394 IFM 0.9227
395 82I 0.9226
396 BNS 0.9225
397 M1H 0.9223
398 GF4 0.9223
399 0W1 0.9222
400 4JQ 0.9222
401 ES2 0.9222
402 7HQ 0.9221
403 2LY 0.9221
404 M58 0.9217
405 FBM 0.9216
406 PIY 0.9216
407 PXL 0.9216
408 4JM 0.9214
409 NDH 0.9214
410 5H1 0.9214
411 GIV 0.9213
412 4SV 0.9213
413 GJZ 0.9212
414 5MI 0.9210
415 H8N 0.9210
416 S2G 0.9209
417 1GN 0.9209
418 F60 0.9209
419 K97 0.9209
420 BZX 0.9207
421 LYL 0.9206
422 M0W 0.9206
423 UNC 0.9205
424 CLW 0.9204
425 Q6T 0.9204
426 IPB 0.9203
427 FP1 0.9203
428 C1M 0.9203
429 OGA 0.9203
430 PQK 0.9202
431 6AI 0.9202
432 TZF 0.9201
433 1P8 0.9201
434 M0Q 0.9200
435 XXG 0.9199
436 7NI 0.9198
437 CTL 0.9198
438 AEH 0.9197
439 MSR 0.9196
440 SRT 0.9195
441 2H5 0.9195
442 0RW 0.9195
443 2YU 0.9195
444 LMR 0.9194
445 AKH 0.9193
446 NIZ 0.9193
447 AJY 0.9192
448 5XB 0.9191
449 4YO 0.9191
450 11S 0.9191
451 AMS 0.9190
452 SNU 0.9190
453 AKG 0.9190
454 7VS 0.9188
455 HLZ 0.9187
456 GLA 0.9187
457 VGL 0.9187
458 8XL 0.9186
459 4ZC 0.9186
460 JBE 0.9186
461 NPY 0.9186
462 261 0.9185
463 HJP 0.9185
464 2K4 0.9183
465 MZG 0.9183
466 QWW 0.9182
467 QX2 0.9182
468 36R 0.9181
469 5MB 0.9181
470 CPZ 0.9181
471 149 0.9181
472 QUZ 0.9181
473 MAJ 0.9180
474 PDC 0.9179
475 JKE 0.9179
476 0TU 0.9178
477 IJZ 0.9176
478 42C 0.9175
479 GCB 0.9174
480 OK7 0.9172
481 SYV 0.9172
482 F9Y 0.9171
483 8G0 0.9167
484 GXL 0.9166
485 M4E 0.9165
486 F05 0.9165
487 RNS 0.9164
488 F4E 0.9164
489 DHY 0.9164
490 F9P 0.9163
491 GXY 0.9163
492 K34 0.9162
493 CH9 0.9161
494 MR1 0.9160
495 KBB 0.9160
496 P92 0.9160
497 EXD 0.9159
498 23A 0.9159
499 C2U 0.9158
500 SWD 0.9158
501 XYL 0.9156
502 RB5 0.9156
503 I1E 0.9156
504 HT4 0.9156
505 HY1 0.9155
506 N8Y 0.9155
507 MCT 0.9155
508 H4E 0.9154
509 SHA 0.9153
510 ODO 0.9153
511 4ZE 0.9153
512 AY4 0.9152
513 X6X 0.9151
514 Z5P 0.9151
515 FYU 0.9150
516 PEA 0.9149
517 2O6 0.9146
518 1MC 0.9146
519 DBJ 0.9145
520 QMP 0.9145
521 AMC 0.9144
522 COI 0.9141
523 RIB 0.9140
524 GIF 0.9139
525 Y8I 0.9139
526 VGD 0.9139
527 URC 0.9139
528 KT7 0.9138
529 MWM 0.9137
530 SVD 0.9136
531 3Z8 0.9135
532 3AL 0.9134
533 UNJ 0.9134
534 MPV 0.9133
535 RNT 0.9132
536 GAF 0.9132
537 EVA 0.9131
538 XBZ 0.9131
539 DGN 0.9130
540 3MG 0.9129
541 MWJ 0.9129
542 PEY 0.9128
543 NCT 0.9127
544 M1E 0.9126
545 DIU 0.9126
546 2CK 0.9125
547 N3W 0.9124
548 ADE 0.9123
549 9EW 0.9123
550 FA3 0.9122
551 8HC 0.9121
552 QOS 0.9120
553 0FK 0.9119
554 42A 0.9119
555 1PT 0.9119
556 SVN 0.9119
557 FB2 0.9118
558 ORN 0.9117
559 CTS 0.9117
560 8NB 0.9116
561 RM1 0.9115
562 4HO 0.9114
563 5VM 0.9113
564 2AC 0.9113
565 A13 0.9112
566 2FQ 0.9112
567 FK1 0.9111
568 ZZT 0.9110
569 34A 0.9109
570 LZM 0.9109
571 TM7 0.9109
572 ES9 0.9108
573 6M4 0.9107
574 TLD 0.9107
575 FQI 0.9106
576 N2I 0.9105
577 15E 0.9105
578 5MH 0.9105
579 4JL 0.9104
580 RBL 0.9103
581 7WV 0.9103
582 GJP 0.9102
583 1KP 0.9101
584 H4N 0.9100
585 4JJ 0.9099
586 FH2 0.9098
587 4ME 0.9098
588 FBA 0.9097
589 DBX 0.9096
590 X05 0.9096
591 JND 0.9096
592 2MP 0.9094
593 ADZ 0.9094
594 TGX 0.9093
595 8H8 0.9093
596 L14 0.9092
597 PA1 0.9092
598 IAC 0.9092
599 JG8 0.9092
600 4RU 0.9092
601 GLN 0.9091
602 36E 0.9091
603 ASN 0.9089
604 QY9 0.9088
605 36Y 0.9087
606 ZB1 0.9087
607 1DW 0.9087
608 OXZ 0.9086
609 MBG 0.9086
610 TH0 0.9086
611 2LP 0.9085
612 27Y 0.9085
613 TTY 0.9085
614 TSS 0.9084
615 1A7 0.9084
616 J9W 0.9084
617 A1U 0.9083
618 SOR 0.9082
619 AJ2 0.9082
620 ASP 0.9080
621 7N0 0.9080
622 HHH 0.9080
623 B62 0.9080
624 PYD 0.9079
625 1HN 0.9079
626 URF 0.9079
627 4NB 0.9078
628 LQ2 0.9078
629 XYP 0.9078
630 NGO 0.9076
631 OW7 0.9075
632 5GU 0.9074
633 KJU 0.9074
634 KYA 0.9074
635 PZM 0.9073
636 XHP 0.9072
637 4CL 0.9071
638 BR9 0.9071
639 EYK 0.9071
640 Q24 0.9071
641 1WD 0.9071
642 4NG 0.9070
643 JZ2 0.9070
644 CXH 0.9069
645 K5W 0.9069
646 LXC 0.9069
647 HPA 0.9068
648 M6N 0.9068
649 75K 0.9068
650 XYD 0.9067
651 TCA 0.9066
652 24B 0.9065
653 KJY 0.9064
654 PJW 0.9064
655 428 0.9064
656 AZ8 0.9064
657 DNC 0.9063
658 FBU 0.9062
659 APZ 0.9061
660 6KT 0.9060
661 B85 0.9060
662 94W 0.9060
663 HSO 0.9059
664 HMU 0.9058
665 GV9 0.9057
666 PO6 0.9056
667 8U3 0.9056
668 3FH 0.9056
669 PE0 0.9056
670 FDK 0.9055
671 DHQ 0.9055
672 AGK 0.9054
673 A5E 0.9054
674 PBA 0.9054
675 FDR 0.9053
676 UAN 0.9053
677 XAZ 0.9052
678 TDR 0.9052
679 2HG 0.9052
680 AJV 0.9051
681 ZYR 0.9051
682 IT2 0.9050
683 J9N 0.9050
684 SWA 0.9047
685 JA8 0.9047
686 TOF 0.9047
687 I3E 0.9046
688 B57 0.9046
689 10L 0.9045
690 QBK 0.9045
691 R2B 0.9044
692 R8S 0.9044
693 AH8 0.9043
694 SJ5 0.9043
695 3Z7 0.9043
696 DEW 0.9042
697 M1Q 0.9042
698 268 0.9041
699 ICP 0.9041
700 DQA 0.9040
701 S2P 0.9040
702 MEW 0.9040
703 6MP 0.9040
704 G6D 0.9040
705 2CQ 0.9039
706 2PG 0.9038
707 MO8 0.9038
708 XUL 0.9037
709 4V2 0.9037
710 PYF 0.9037
711 II6 0.9036
712 C2B 0.9035
713 NSP 0.9034
714 QPR 0.9033
715 MUA 0.9033
716 2AK 0.9031
717 EMZ 0.9030
718 6LW 0.9030
719 43M 0.9030
720 MJ2 0.9030
721 GUN 0.9030
722 AX3 0.9029
723 37T 0.9029
724 3R6 0.9029
725 4MU 0.9028
726 4HC 0.9027
727 0FO 0.9027
728 PMB 0.9026
729 C2A 0.9026
730 OTW 0.9026
731 NID 0.9026
732 M5K 0.9026
733 GLT 0.9024
734 RHU 0.9024
735 5WY 0.9024
736 EDR 0.9023
737 JYB 0.9023
738 HDL 0.9022
739 44V 0.9022
740 NLE 0.9022
741 F12 0.9022
742 9DG 0.9020
743 R9S 0.9019
744 HPS 0.9019
745 BPY 0.9018
746 4P0 0.9016
747 HBX 0.9016
748 SHG 0.9016
749 DMJ 0.9015
750 6ME 0.9015
751 KDV 0.9015
752 3PG 0.9014
753 HG3 0.9014
754 WBU 0.9013
755 XDE 0.9012
756 3HP 0.9012
757 AQO 0.9012
758 2A7 0.9010
759 1AL 0.9009
760 IWT 0.9008
761 9DA 0.9008
762 BTE 0.9008
763 DQU 0.9007
764 MNM 0.9005
765 INE 0.9005
766 E7S 0.9005
767 SYA 0.9004
768 3DM 0.9003
769 SEP 0.9003
770 2MN 0.9003
771 14J 0.9003
772 DEN 0.9003
773 5JQ 0.9002
774 G5V 0.9002
775 9MG 0.9002
776 8NX 0.9001
777 FPI 0.9001
778 DA4 0.9000
779 VNJ 0.8999
780 44W 0.8999
781 NYL 0.8998
782 2F6 0.8998
783 4JC 0.8997
784 NAG 0.8997
785 MT0 0.8996
786 M45 0.8996
787 8NY 0.8995
788 4BY 0.8994
789 GRE 0.8993
790 FBV 0.8992
791 6R8 0.8992
792 S76 0.8992
793 XAN 0.8991
794 2GS 0.8990
795 3ZB 0.8988
796 X09 0.8987
797 495 0.8987
798 XQG 0.8987
799 5UC 0.8987
800 IND 0.8986
801 9R5 0.8984
802 8TX 0.8984
803 MWP 0.8984
804 3SL 0.8983
805 M1Z 0.8983
806 BTY 0.8983
807 ES4 0.8981
808 H62 0.8979
809 FUD 0.8979
810 7WG 0.8978
811 M4S 0.8978
812 PEP 0.8977
813 2FT 0.8977
814 BK9 0.8976
815 URS 0.8976
816 CWJ 0.8976
817 2EC 0.8975
818 0R0 0.8975
819 BP1 0.8975
820 1SA 0.8974
821 TZE 0.8973
822 ALE 0.8971
823 GGL 0.8971
824 AZA 0.8969
825 FDB 0.8968
826 DEE 0.8967
827 XRG 0.8967
828 8OZ 0.8967
829 6OT 0.8965
830 T6C 0.8965
831 TSR 0.8964
832 NK 0.8964
833 35C 0.8963
834 HLR 0.8963
835 25W 0.8962
836 BDF 0.8961
837 PEQ 0.8961
838 JTH 0.8961
839 150 0.8960
840 LZ1 0.8960
841 GZ3 0.8959
842 6M1 0.8959
843 FB1 0.8959
844 4TU 0.8958
845 XBT 0.8958
846 PM6 0.8957
847 B55 0.8957
848 0BP 0.8956
849 4BL 0.8956
850 QX4 0.8955
851 7HP 0.8955
852 1LN 0.8954
853 NQ 0.8954
854 0FN 0.8953
855 HHI 0.8952
856 A65 0.8951
857 7MX 0.8951
858 OHP 0.8951
859 9HX 0.8949
860 7WA 0.8949
861 BZI 0.8949
862 HSE 0.8947
863 7VP 0.8947
864 4JO 0.8946
865 DIE 0.8945
866 LRH 0.8943
867 YH7 0.8943
868 3SK 0.8943
869 7ZE 0.8942
870 IGA 0.8941
871 LKA 0.8940
872 VK3 0.8938
873 MVN 0.8938
874 ABN 0.8938
875 ZZ3 0.8937
876 P3K 0.8937
877 SNO 0.8937
878 MB1 0.8936
879 BZF 0.8936
880 MXN 0.8933
881 3BU 0.8933
882 0LH 0.8933
883 258 0.8932
884 3QM 0.8932
885 M5H 0.8930
886 BZJ 0.8930
887 MRZ 0.8929
888 AN3 0.8928
889 TT4 0.8928
890 505 0.8926
891 P7Y 0.8925
892 YZM 0.8925
893 NBE 0.8925
894 X0W 0.8924
895 DRL 0.8924
896 RXA 0.8924
897 JZ3 0.8924
898 6QF 0.8922
899 9KT 0.8921
900 YTX 0.8920
901 FRU 0.8920
902 EGR 0.8919
903 N7I 0.8918
904 B53 0.8918
905 61M 0.8918
906 SD4 0.8918
907 HZQ 0.8918
908 1XN 0.8917
909 F4Z 0.8917
910 SYN 0.8916
911 IUR 0.8916
912 EVF 0.8914
913 A2F 0.8914
914 KBZ 0.8913
915 GZ2 0.8913
916 LI6 0.8912
917 K3Q 0.8911
918 PY7 0.8911
919 TC7 0.8911
920 TAR 0.8910
921 BQ2 0.8910
922 URQ 0.8910
923 7MH 0.8910
924 13P 0.8909
925 1MR 0.8908
926 BP9 0.8908
927 MZW 0.8908
928 141 0.8908
929 PRA 0.8907
930 URO 0.8906
931 IDM 0.8906
932 32X 0.8905
933 ZBT 0.8904
934 PRY 0.8901
935 BOA 0.8901
936 7ME 0.8900
937 BNL 0.8899
938 CFF 0.8899
939 PEL 0.8897
940 RMN 0.8897
941 MAN 0.8896
942 5JL 0.8895
943 AZF 0.8892
944 PHH 0.8892
945 JIF 0.8892
946 45C 0.8891
947 YPN 0.8890
948 HQ9 0.8889
949 LDU 0.8889
950 PKU 0.8889
951 M6Z 0.8887
952 3YP 0.8885
953 60P 0.8885
954 8W9 0.8885
955 JZ4 0.8884
956 EV0 0.8884
957 282 0.8884
958 SKF 0.8883
959 MPI 0.8883
960 9PY 0.8882
961 RNO 0.8882
962 3HG 0.8882
963 AS3 0.8882
964 6AP 0.8882
965 6F0 0.8882
966 O2A 0.8881
967 AEG 0.8880
968 DFU 0.8878
969 2ZQ 0.8878
970 1XM 0.8878
971 PHE 0.8878
972 AHB 0.8877
973 PCA 0.8876
974 6GU 0.8876
975 XXP 0.8876
976 DS0 0.8875
977 AZG 0.8875
978 1WG 0.8875
979 TEP 0.8873
980 69O 0.8872
981 CFP 0.8871
982 0CT 0.8871
983 GVH 0.8870
984 TAG 0.8869
985 PPY 0.8869
986 9X7 0.8868
987 PXM 0.8868
988 CLZ 0.8867
989 FUL 0.8866
990 95Z 0.8866
991 329 0.8865
992 FPY 0.8864
993 OKG 0.8864
994 GLO 0.8863
995 0R1 0.8863
996 APS 0.8862
997 IOS 0.8862
998 TLA 0.8861
999 C21 0.8861
1000 SME 0.8860
1001 FF2 0.8859
1002 DFB 0.8857
1003 PYQ 0.8857
1004 2CZ 0.8856
1005 9RW 0.8855
1006 F81 0.8855
1007 209 0.8855
1008 CXP 0.8852
1009 FCA 0.8852
1010 MET 0.8852
1011 27B 0.8852
1012 LYS 0.8851
1013 4VY 0.8850
1014 ICF 0.8850
1015 SMN 0.8849
1016 URP 0.8849
1017 J6W 0.8848
1018 TEO 0.8847
1019 0MK 0.8845
1020 GO2 0.8845
1021 RIP 0.8843
1022 M6W 0.8843
1023 GAG 0.8843
1024 F5B 0.8843
1025 L22 0.8842
1026 BNF 0.8842
1027 DX4 0.8842
1028 PRF 0.8841
1029 EN1 0.8841
1030 GWM 0.8840
1031 4A5 0.8840
1032 344 0.8840
1033 MZB 0.8839
1034 TBP 0.8839
1035 RAM 0.8839
1036 2BX 0.8838
1037 30G 0.8838
1038 R2P 0.8837
1039 4JU 0.8837
1040 8IG 0.8836
1041 JZ5 0.8835
1042 290 0.8834
1043 Q02 0.8833
1044 BCP 0.8833
1045 ANC 0.8831
1046 2DR 0.8831
1047 PRO 0.8830
1048 NVU 0.8830
1049 FK8 0.8830
1050 SRO 0.8830
1051 GHM 0.8828
1052 GBD 0.8828
1053 ESP 0.8826
1054 R8A 0.8826
1055 5VL 0.8824
1056 1DV 0.8823
1057 H76 0.8823
1058 RD4 0.8823
1059 7VJ 0.8822
1060 ARP 0.8822
1061 XYS 0.8821
1062 BZE 0.8819
1063 SR1 0.8817
1064 PFB 0.8816
1065 AHN 0.8815
1066 D07 0.8815
1067 K17 0.8815
1068 SF9 0.8812
1069 HH5 0.8811
1070 2MH 0.8811
1071 2ZV 0.8810
1072 PH2 0.8809
1073 4KL 0.8808
1074 JFD 0.8808
1075 TBS 0.8808
1076 FUC 0.8807
1077 FA6 0.8806
1078 BSP 0.8805
1079 OXQ 0.8805
1080 KMH 0.8803
1081 3WA 0.8803
1082 1L5 0.8802
1083 12M 0.8802
1084 HCI 0.8801
1085 KTJ 0.8800
1086 JXN 0.8800
1087 PQ0 0.8799
1088 6VD 0.8799
1089 OHG 0.8798
1090 HHS 0.8797
1091 7D2 0.8796
1092 8XQ 0.8794
1093 1Z6 0.8793
1094 3QV 0.8792
1095 HHR 0.8791
1096 B2J 0.8790
1097 449 0.8789
1098 JF2 0.8789
1099 XIZ 0.8789
1100 FBJ 0.8788
1101 XQK 0.8787
1102 F1A 0.8787
1103 JZ9 0.8787
1104 S0E 0.8787
1105 UEG 0.8786
1106 HX4 0.8784
1107 TZC 0.8784
1108 BMA 0.8783
1109 9YL 0.8783
1110 23J 0.8780
1111 4HP 0.8779
1112 SG2 0.8778
1113 SMV 0.8778
1114 S7J 0.8777
1115 2QC 0.8775
1116 KGK 0.8775
1117 H33 0.8774
1118 4LW 0.8774
1119 GBN 0.8773
1120 DNA 0.8773
1121 GNM 0.8772
1122 B60 0.8772
1123 LR5 0.8771
1124 0GZ 0.8770
1125 AA 0.8770
1126 APG 0.8770
1127 JBQ 0.8769
1128 RSF 0.8769
1129 ANF 0.8768
1130 AIN 0.8767
1131 GCO 0.8767
1132 0CU 0.8767
1133 BML 0.8767
1134 UFO 0.8767
1135 MAE 0.8766
1136 HLD 0.8763
1137 IDH 0.8763
1138 2D3 0.8762
1139 ABE 0.8762
1140 MAQ 0.8762
1141 4JP 0.8762
1142 286 0.8761
1143 2K8 0.8758
1144 RUY 0.8758
1145 QBM 0.8758
1146 LAO 0.8757
1147 L7T 0.8757
1148 1X7 0.8756
1149 FBF 0.8754
1150 2PC 0.8753
1151 JU2 0.8753
1152 AMG 0.8752
1153 A09 0.8752
1154 LEU 0.8751
1155 K6X 0.8751
1156 MFU 0.8750
1157 JBN 0.8750
1158 39A 0.8749
1159 R9Y 0.8749
1160 EQT 0.8748
1161 LDR 0.8746
1162 G12 0.8744
1163 47J 0.8744
1164 FUM 0.8744
1165 I6G 0.8741
1166 SS2 0.8740
1167 H5B 0.8740
1168 WOT 0.8740
1169 F4K 0.8739
1170 1QP 0.8738
1171 XXR 0.8738
1172 X0U 0.8737
1173 1U6 0.8736
1174 G3P 0.8735
1175 PXY 0.8735
1176 OTD 0.8734
1177 HNQ 0.8734
1178 GIO 0.8733
1179 HQE 0.8732
1180 E35 0.8731
1181 K32 0.8731
1182 9AP 0.8731
1183 PH3 0.8731
1184 JF1 0.8730
1185 7I2 0.8730
1186 1DU 0.8728
1187 R67 0.8728
1188 8K2 0.8728
1189 PCR 0.8728
1190 MQB 0.8726
1191 2KA 0.8726
1192 FHC 0.8726
1193 692 0.8726
1194 5WX 0.8726
1195 TP5 0.8725
1196 ROI 0.8724
1197 RBJ 0.8722
1198 3R4 0.8719
1199 DX3 0.8716
1200 9KH 0.8715
1201 HX2 0.8715
1202 28N 0.8714
1203 DRG 0.8714
1204 JP2 0.8713
1205 NDG 0.8712
1206 FBT 0.8711
1207 FCB 0.8710
1208 ARB 0.8709
1209 HSM 0.8709
1210 UY7 0.8708
1211 0VT 0.8707
1212 265 0.8707
1213 4HS 0.8706
1214 EXO 0.8704
1215 PMF 0.8703
1216 4CH 0.8703
1217 091 0.8701
1218 CFA 0.8701
1219 MFB 0.8700
1220 X48 0.8699
1221 363 0.8699
1222 5NE 0.8698
1223 K22 0.8697
1224 PLQ 0.8697
1225 SIN 0.8696
1226 KMT 0.8695
1227 M2H 0.8693
1228 F2W 0.8692
1229 3J8 0.8690
1230 G3H 0.8687
1231 152 0.8686
1232 KYD 0.8686
1233 B5D 0.8685
1234 4JN 0.8684
1235 FOA 0.8684
1236 I4B 0.8683
1237 6DP 0.8682
1238 LZ2 0.8680
1239 HY3 0.8680
1240 LSA 0.8679
1241 NDM 0.8678
1242 C9E 0.8677
1243 1XA 0.8674
1244 LG4 0.8672
1245 Q71 0.8671
1246 DA1 0.8670
1247 PYC 0.8670
1248 25R 0.8670
1249 HYP 0.8669
1250 CIY 0.8669
1251 FPN 0.8668
1252 7CZ 0.8667
1253 GLY PRO 0.8666
1254 IOL 0.8666
1255 3RK 0.8663
1256 5CL 0.8662
1257 4NZ 0.8662
1258 0XT 0.8660
1259 7B3 0.8659
1260 NK2 0.8658
1261 SYR 0.8658
1262 K8X 0.8657
1263 CKA 0.8656
1264 X8D 0.8656
1265 680 0.8656
1266 SXS 0.8654
1267 5NS 0.8653
1268 PGH 0.8652
1269 THA 0.8651
1270 P9E 0.8650
1271 FUF 0.8648
1272 CIT 0.8648
1273 V1T 0.8647
1274 ADK 0.8644
1275 CRS 0.8643
1276 M3T 0.8642
1277 20J 0.8641
1278 BPU 0.8638
1279 DPT 0.8636
1280 HXX 0.8636
1281 AES 0.8634
1282 RM4 0.8633
1283 4H2 0.8633
1284 4I8 0.8633
1285 KFH 0.8632
1286 HA7 0.8631
1287 5TY 0.8630
1288 273 0.8625
1289 MHK 0.8625
1290 1WC 0.8624
1291 284 0.8623
1292 KIB 0.8622
1293 NF3 0.8620
1294 EUE 0.8616
1295 68A 0.8615
1296 9UL 0.8614
1297 NLA 0.8613
1298 T9G 0.8611
1299 6XI 0.8608
1300 0TR 0.8608
1301 6BL 0.8603
1302 3AE 0.8602
1303 6X9 0.8596
1304 J1Z 0.8594
1305 TMG 0.8592
1306 DTL 0.8590
1307 JUG 0.8586
1308 57O 0.8585
1309 G1O 0.8582
1310 2CL 0.8581
1311 ICT 0.8580
1312 HGQ 0.8578
1313 HEW 0.8576
1314 BNT 0.8574
1315 HKD 0.8573
1316 JAB 0.8573
1317 OQC 0.8572
1318 E3D 0.8567
1319 3CH 0.8567
1320 B3R 0.8565
1321 M5N 0.8564
1322 P80 0.8563
1323 JR2 0.8561
1324 23W 0.8558
1325 D3G 0.8553
1326 TZM 0.8552
1327 BP7 0.8547
1328 N0Z 0.8545
1329 0OC 0.8543
1330 ZME 0.8519
1331 QMS 0.8502
1332 NPA 0.8501
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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