Receptor
PDB id Resolution Class Description Source Keywords
3PCI 2.21 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...
IHB 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;
 submit data
264.017 C7 H5 I 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: IHB; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 IHB 1 1
2 DHB 0.514286 0.72
3 QSB 0.473684 0.913043
4 CHB 0.473684 0.913043
5 FHB 0.473684 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: IHB; Similar ligands found: 1254
No: Ligand Similarity coefficient
1 9TW 1.0000
2 P9P 1.0000
3 4NC 0.9971
4 JLZ 0.9957
5 MYJ 0.9931
6 XX2 0.9928
7 93K 0.9922
8 4A3 0.9909
9 3HM 0.9900
10 2HO 0.9885
11 NNO 0.9864
12 INO 0.9864
13 VNL 0.9817
14 F31 0.9770
15 4CS 0.9726
16 HBD 0.9719
17 QSH 0.9707
18 WCE 0.9701
19 8WO 0.9699
20 PHB 0.9699
21 PBZ 0.9679
22 BRT 0.9668
23 SW7 0.9663
24 SKM 0.9661
25 3BZ 0.9650
26 ZXD 0.9642
27 PAB 0.9641
28 FGZ 0.9641
29 GDE 0.9639
30 3NT 0.9638
31 AC6 0.9637
32 1Y6 0.9635
33 DHK 0.9634
34 3HB 0.9630
35 NPO 0.9629
36 4FH 0.9620
37 NMJ 0.9617
38 4MA 0.9610
39 GAB 0.9609
40 OVV 0.9605
41 LNR 0.9600
42 P72 0.9597
43 X0V 0.9595
44 826 0.9594
45 4SX 0.9589
46 0HO 0.9583
47 4AA 0.9568
48 HX3 0.9567
49 53C 0.9567
50 IFP 0.9564
51 174 0.9562
52 4ZA 0.9560
53 TWO 0.9559
54 L99 0.9557
55 4P5 0.9557
56 HQJ 0.9549
57 3A9 0.9548
58 3AB 0.9536
59 8GC 0.9535
60 4WL 0.9534
61 Z82 0.9533
62 4XR 0.9523
63 VXX 0.9523
64 LDP 0.9519
65 5HN 0.9517
66 0HN 0.9517
67 4XV 0.9508
68 KKN 0.9508
69 EKZ 0.9500
70 7WR 0.9494
71 LCN 0.9487
72 F0J 0.9478
73 CN0 0.9477
74 4XS 0.9473
75 2A9 0.9473
76 3MB 0.9473
77 KOJ 0.9472
78 3NY 0.9472
79 9FE 0.9470
80 E7Z 0.9466
81 1F1 0.9466
82 2ZM 0.9464
83 ES7 0.9464
84 GYE 0.9462
85 4Z4 0.9458
86 6NT 0.9453
87 OVP 0.9446
88 BDP 0.9446
89 G4D 0.9445
90 BGC 0.9441
91 HDH 0.9441
92 HA5 0.9437
93 2HU 0.9437
94 DMD 0.9437
95 3DO 0.9436
96 V55 0.9436
97 NOY 0.9434
98 L5V 0.9433
99 DGJ 0.9429
100 5MK 0.9429
101 3ID 0.9429
102 OW4 0.9425
103 ABI 0.9425
104 AL0 0.9423
105 5QY 0.9423
106 E5X 0.9422
107 BPN 0.9422
108 ISN 0.9421
109 J9T 0.9420
110 GZL 0.9420
111 GLC 0.9420
112 EUG 0.9418
113 4M4 0.9418
114 DHS 0.9417
115 ONR 0.9415
116 JAW 0.9415
117 PZI 0.9415
118 OVM 0.9412
119 4HM 0.9411
120 0F9 0.9410
121 5WV 0.9410
122 ASC 0.9409
123 BEN 0.9407
124 4BZ 0.9406
125 HBA 0.9406
126 3PF 0.9405
127 PHU 0.9402
128 3OC 0.9400
129 ASO 0.9398
130 LT2 0.9397
131 UFV 0.9397
132 7MU 0.9396
133 BZ2 0.9393
134 QXW 0.9390
135 FA0 0.9389
136 BEZ 0.9389
137 069 0.9388
138 NOJ 0.9385
139 ANN 0.9385
140 AW5 0.9384
141 6CS 0.9382
142 HQT 0.9382
143 J9Q 0.9380
144 5NI 0.9380
145 ADA 0.9378
146 54G 0.9377
147 SX1 0.9376
148 6NI 0.9374
149 4NM 0.9373
150 JDN 0.9370
151 GTQ 0.9369
152 J5I 0.9369
153 PNZ 0.9367
154 TTL 0.9367
155 AMH 0.9367
156 HIS 0.9367
157 0JD 0.9366
158 NCA 0.9365
159 86J 0.9363
160 IF7 0.9363
161 HQD 0.9360
162 JB8 0.9358
163 ESI 0.9358
164 M2K 0.9358
165 D48 0.9356
166 4AV 0.9356
167 SKA 0.9356
168 6PC 0.9355
169 G3E 0.9354
170 KJH 0.9353
171 PBC 0.9351
172 IFL 0.9350
173 QWN 0.9350
174 G2F 0.9349
175 6FZ 0.9349
176 SE2 0.9348
177 DNF 0.9347
178 7W4 0.9347
179 97T 0.9346
180 12Q 0.9344
181 GTR 0.9340
182 15N 0.9337
183 2AL 0.9337
184 6RQ 0.9333
185 UNU 0.9332
186 BHA 0.9332
187 QIC 0.9332
188 JFJ 0.9332
189 1P3 0.9329
190 0W8 0.9329
191 BAM 0.9329
192 IPB 0.9328
193 LGC 0.9323
194 SLS 0.9323
195 TYL 0.9322
196 G3F 0.9322
197 NIO 0.9321
198 EOL 0.9320
199 AHR 0.9319
200 GLU 0.9318
201 DOB 0.9318
202 FBS 0.9318
203 RAT 0.9316
204 4VP 0.9315
205 5XC 0.9315
206 FCR 0.9314
207 5M0 0.9313
208 OTR 0.9313
209 DIN 0.9310
210 M4T 0.9310
211 6TZ 0.9307
212 R8V 0.9306
213 42J 0.9306
214 ISZ 0.9305
215 5QX 0.9304
216 5RN 0.9304
217 3F0 0.9304
218 2HQ 0.9303
219 FE DB1 0.9301
220 A7W 0.9301
221 4M0 0.9297
222 TSU 0.9297
223 7W1 0.9296
224 5RG 0.9294
225 45L 0.9293
226 4J8 0.9293
227 3M0 0.9291
228 ICO 0.9290
229 9ZE 0.9290
230 ICB 0.9290
231 TPA 0.9290
232 5CU 0.9288
233 GAL 0.9288
234 H42 0.9287
235 XX3 0.9286
236 34D 0.9286
237 Q88 0.9286
238 SAN 0.9285
239 717 0.9283
240 M3H 0.9282
241 CFI 0.9282
242 OAA 0.9280
243 5RO 0.9279
244 BZ3 0.9279
245 67N 0.9277
246 BHO 0.9277
247 SS1 0.9277
248 HHA 0.9275
249 M1A 0.9275
250 FA1 0.9273
251 03V 0.9273
252 KUF 0.9273
253 DBH 0.9272
254 8S0 0.9271
255 5OB 0.9270
256 ORO 0.9270
257 YCP 0.9269
258 3HA 0.9269
259 R20 0.9269
260 AZ9 0.9268
261 VOH 0.9268
262 AEF 0.9268
263 NBZ 0.9266
264 GF4 0.9265
265 4FS 0.9264
266 BNS 0.9264
267 AC0 0.9264
268 SAL 0.9263
269 M1H 0.9262
270 H7Y 0.9262
271 HC4 0.9261
272 JAE 0.9260
273 E1T 0.9258
274 9TZ 0.9257
275 259 0.9257
276 51R 0.9256
277 FBW 0.9256
278 MLT 0.9255
279 2AQ 0.9254
280 PAC 0.9253
281 PIM 0.9251
282 XIY 0.9251
283 NTN 0.9250
284 PRZ 0.9250
285 CXF 0.9250
286 SN4 0.9249
287 463 0.9249
288 D1X 0.9248
289 FAN 0.9248
290 N2Z 0.9247
291 8WT 0.9246
292 4FA 0.9246
293 0N7 0.9245
294 2D0 0.9244
295 OCH 0.9243
296 AAS 0.9243
297 0W1 0.9243
298 GUA 0.9243
299 5LA 0.9241
300 YIO 0.9240
301 TH7 0.9238
302 BE2 0.9237
303 5NU 0.9236
304 JB5 0.9234
305 IV2 0.9232
306 YRL 0.9232
307 COU 0.9231
308 BE7 0.9229
309 QSC 0.9229
310 PZA 0.9229
311 ES0 0.9228
312 2HC 0.9228
313 MRW 0.9226
314 CWM 0.9225
315 AMS 0.9224
316 DOR 0.9222
317 RSO 0.9222
318 M0W 0.9221
319 XQ0 0.9221
320 4JM 0.9220
321 H4E 0.9220
322 FBB 0.9218
323 WOO 0.9216
324 AEH 0.9216
325 ES5 0.9215
326 ET2 0.9215
327 HLZ 0.9214
328 SRT 0.9213
329 1LQ 0.9213
330 GCU 0.9212
331 ESX 0.9212
332 DHR 0.9210
333 DE5 0.9209
334 ES6 0.9208
335 CWS 0.9208
336 12T 0.9208
337 M0Q 0.9207
338 ALL 0.9206
339 2FG 0.9206
340 F4E 0.9204
341 4XH 0.9204
342 FBM 0.9203
343 1SQ 0.9203
344 MS9 0.9202
345 JBH 0.9201
346 TZF 0.9201
347 SHA 0.9201
348 1NP 0.9201
349 ABV 0.9199
350 NIZ 0.9198
351 4JT 0.9197
352 OGA 0.9197
353 FBA 0.9197
354 15L 0.9196
355 OXC 0.9196
356 HH8 0.9196
357 52C 0.9196
358 173 0.9195
359 PIY 0.9195
360 VGL 0.9195
361 MQN 0.9193
362 DYA 0.9193
363 A29 0.9192
364 5IQ 0.9191
365 GCS 0.9191
366 5SG 0.9190
367 K2T 0.9190
368 SNU 0.9190
369 AX7 0.9189
370 1LM 0.9189
371 XCZ 0.9188
372 GIV 0.9188
373 8ZE 0.9188
374 MSR 0.9188
375 X6X 0.9187
376 7B4 0.9187
377 3IT 0.9185
378 H8N 0.9184
379 M45 0.9184
380 F9P 0.9183
381 ES2 0.9183
382 QWW 0.9183
383 HMH 0.9181
384 GXY 0.9181
385 K34 0.9181
386 IFM 0.9180
387 2CK 0.9177
388 1GN 0.9176
389 K97 0.9176
390 1IT 0.9176
391 SOE 0.9176
392 EA1 0.9175
393 AKG 0.9175
394 4JQ 0.9174
395 AJY 0.9174
396 3XX 0.9173
397 CPZ 0.9173
398 S2G 0.9172
399 DBJ 0.9172
400 1P7 0.9171
401 GJZ 0.9170
402 OK7 0.9170
403 270 0.9169
404 6M9 0.9169
405 0P6 0.9168
406 JPZ 0.9168
407 PQK 0.9167
408 N5J 0.9167
409 24W 0.9165
410 QX2 0.9165
411 FQI 0.9162
412 KTW 0.9162
413 9CA 0.9161
414 LMR 0.9161
415 C2U 0.9160
416 KTA 0.9160
417 O72 0.9160
418 1M2 0.9160
419 F60 0.9159
420 14O 0.9159
421 7VS 0.9158
422 5JC 0.9158
423 9FL 0.9158
424 4YS 0.9158
425 ES1 0.9156
426 2MI 0.9156
427 CLW 0.9155
428 FOT 0.9153
429 QMP 0.9152
430 8CM 0.9152
431 GLA 0.9152
432 BEA 0.9152
433 OMD 0.9152
434 HY1 0.9151
435 JBK 0.9151
436 2FY 0.9149
437 N3W 0.9149
438 COI 0.9149
439 BZX 0.9149
440 KBG 0.9147
441 3C4 0.9147
442 5H1 0.9146
443 ODO 0.9146
444 C2Y 0.9145
445 92P 0.9145
446 2K4 0.9144
447 82I 0.9144
448 GVG 0.9144
449 FYU 0.9142
450 5GU 0.9140
451 92K 0.9139
452 3MG 0.9138
453 39O 0.9138
454 Y8I 0.9138
455 2O6 0.9138
456 4SV 0.9137
457 L14 0.9137
458 11S 0.9137
459 DIU 0.9136
460 M1E 0.9135
461 XXG 0.9135
462 3U4 0.9134
463 HQY 0.9134
464 EXD 0.9134
465 DGL 0.9131
466 2BG 0.9130
467 MZG 0.9128
468 36R 0.9127
469 FP1 0.9127
470 OW7 0.9126
471 MR1 0.9126
472 5Q0 0.9125
473 JKE 0.9125
474 3R6 0.9125
475 MAJ 0.9122
476 8XL 0.9122
477 UNJ 0.9121
478 5MI 0.9120
479 ASP 0.9120
480 AMC 0.9120
481 5B1 0.9120
482 2H5 0.9119
483 GCB 0.9118
484 2YU 0.9118
485 CXH 0.9118
486 SYV 0.9117
487 0TU 0.9116
488 I3A 0.9115
489 SYA 0.9114
490 AY4 0.9114
491 MPV 0.9114
492 GIF 0.9113
493 8NB 0.9113
494 PD2 0.9113
495 KBB 0.9112
496 A13 0.9112
497 NDH 0.9112
498 UNC 0.9111
499 7HQ 0.9109
500 1P8 0.9107
501 GAF 0.9106
502 M58 0.9106
503 BSX 0.9106
504 VNJ 0.9106
505 3Z8 0.9105
506 NPY 0.9105
507 HT4 0.9103
508 0RW 0.9103
509 6AI 0.9102
510 149 0.9102
511 I1E 0.9101
512 HJP 0.9101
513 NGO 0.9100
514 NCT 0.9100
515 TGX 0.9100
516 4JL 0.9099
517 RNT 0.9099
518 CH9 0.9099
519 PDC 0.9099
520 JBE 0.9098
521 PA1 0.9095
522 QUZ 0.9095
523 23A 0.9095
524 RNS 0.9094
525 GLN 0.9092
526 5XB 0.9091
527 AGK 0.9090
528 PXL 0.9089
529 X05 0.9088
530 RIB 0.9086
531 JA8 0.9086
532 AH8 0.9084
533 3AL 0.9084
534 GXL 0.9083
535 DA4 0.9083
536 KJU 0.9083
537 SWA 0.9080
538 P92 0.9080
539 IJZ 0.9078
540 4YO 0.9078
541 AKH 0.9077
542 4ZC 0.9077
543 SWD 0.9077
544 FB2 0.9077
545 XYL 0.9076
546 3Z7 0.9076
547 3HP 0.9076
548 FA3 0.9075
549 DHY 0.9075
550 VGD 0.9075
551 EVA 0.9074
552 NAG 0.9074
553 N2I 0.9074
554 4NB 0.9074
555 QOS 0.9073
556 ORN 0.9073
557 DS0 0.9072
558 XDE 0.9072
559 RB5 0.9071
560 QY9 0.9071
561 XBZ 0.9070
562 42C 0.9069
563 7N0 0.9068
564 F05 0.9064
565 LYL 0.9063
566 CTS 0.9062
567 TM7 0.9062
568 6M4 0.9061
569 PZM 0.9061
570 A5E 0.9060
571 PJW 0.9059
572 I3E 0.9058
573 4ZE 0.9058
574 2F6 0.9058
575 1MC 0.9058
576 RHU 0.9057
577 CTL 0.9055
578 TIU 0.9054
579 1KP 0.9052
580 KJY 0.9052
581 YTX 0.9052
582 XM0 0.9052
583 II6 0.9050
584 DBX 0.9050
585 5MB 0.9050
586 5VM 0.9050
587 F9Y 0.9050
588 428 0.9050
589 MBG 0.9048
590 MWM 0.9048
591 ZB1 0.9047
592 261 0.9047
593 RM1 0.9047
594 7WV 0.9047
595 Z5P 0.9046
596 MCT 0.9046
597 IT2 0.9045
598 7WG 0.9044
599 SJ5 0.9044
600 K5W 0.9042
601 15E 0.9042
602 C2A 0.9042
603 LQ2 0.9042
604 SOR 0.9041
605 FK1 0.9041
606 DNC 0.9040
607 8G0 0.9040
608 6LW 0.9040
609 2LY 0.9040
610 N8Y 0.9039
611 PO6 0.9039
612 MWJ 0.9038
613 36Y 0.9038
614 3QM 0.9038
615 URC 0.9038
616 R8S 0.9037
617 HMU 0.9037
618 H4N 0.9037
619 ZZT 0.9034
620 HHH 0.9034
621 2FQ 0.9031
622 X09 0.9029
623 M4S 0.9027
624 36E 0.9027
625 PEA 0.9027
626 34A 0.9026
627 TH0 0.9026
628 J9N 0.9025
629 XYD 0.9023
630 M4E 0.9023
631 EDR 0.9022
632 HPS 0.9022
633 JND 0.9020
634 URS 0.9020
635 KT7 0.9020
636 FH2 0.9019
637 M6N 0.9019
638 KYA 0.9018
639 2MP 0.9018
640 ES9 0.9018
641 43M 0.9018
642 1DW 0.9018
643 4CL 0.9017
644 FUD 0.9017
645 ADE 0.9017
646 0FK 0.9016
647 A1U 0.9016
648 4HO 0.9016
649 2HG 0.9015
650 14J 0.9015
651 ASN 0.9014
652 PEY 0.9013
653 6KT 0.9013
654 4JJ 0.9012
655 GJP 0.9011
656 4V2 0.9011
657 C2B 0.9011
658 FDK 0.9010
659 2LP 0.9010
660 ALE 0.9009
661 9EW 0.9009
662 2AC 0.9008
663 2PG 0.9007
664 Q6T 0.9007
665 NSP 0.9007
666 JZ2 0.9005
667 M1Z 0.9005
668 FBU 0.9004
669 7NI 0.9003
670 R2B 0.9003
671 TLD 0.9002
672 B62 0.9002
673 SVN 0.9002
674 SEP 0.9001
675 TSS 0.9001
676 2MN 0.9000
677 XAZ 0.9000
678 XYP 0.9000
679 TCA 0.9000
680 8HC 0.8999
681 BR9 0.8999
682 75K 0.8998
683 JG8 0.8998
684 IAC 0.8998
685 AJ2 0.8998
686 2CQ 0.8998
687 HSO 0.8997
688 GV9 0.8996
689 GLT 0.8996
690 27Y 0.8995
691 PYD 0.8994
692 CWJ 0.8994
693 94W 0.8993
694 4RU 0.8993
695 DMJ 0.8992
696 6OT 0.8992
697 AX3 0.8992
698 4JC 0.8991
699 PYF 0.8991
700 3BU 0.8991
701 42A 0.8990
702 UAN 0.8990
703 AJV 0.8989
704 3ZB 0.8989
705 LXC 0.8989
706 1SA 0.8989
707 8NX 0.8988
708 8H8 0.8988
709 1HN 0.8986
710 6ME 0.8985
711 B85 0.8985
712 2FT 0.8985
713 5MH 0.8985
714 1WD 0.8984
715 MXN 0.8984
716 DIE 0.8984
717 DQA 0.8983
718 7MH 0.8982
719 MO8 0.8982
720 MJ2 0.8982
721 3FH 0.8982
722 EYK 0.8981
723 MEW 0.8981
724 FRU 0.8980
725 PMB 0.8979
726 QBK 0.8979
727 268 0.8979
728 J9W 0.8979
729 Q24 0.8978
730 5JQ 0.8977
731 44V 0.8975
732 EMZ 0.8975
733 0BP 0.8975
734 E7S 0.8975
735 0FN 0.8975
736 URF 0.8974
737 FBV 0.8972
738 24B 0.8971
739 TDR 0.8970
740 6R8 0.8967
741 WBU 0.8967
742 7VP 0.8967
743 F12 0.8967
744 ADZ 0.8966
745 4BY 0.8965
746 1PT 0.8965
747 3PG 0.8964
748 6MP 0.8964
749 ICP 0.8962
750 1A7 0.8962
751 PEP 0.8960
752 4MU 0.8960
753 HDL 0.8958
754 OTW 0.8958
755 FPI 0.8958
756 LZM 0.8957
757 G5V 0.8956
758 B57 0.8955
759 JZ9 0.8955
760 XUL 0.8953
761 HPA 0.8952
762 TTY 0.8952
763 PE0 0.8952
764 MNM 0.8951
765 IWT 0.8951
766 4ME 0.8951
767 8NY 0.8950
768 PBA 0.8950
769 APZ 0.8949
770 AZ8 0.8949
771 XHP 0.8948
772 IDM 0.8947
773 AHB 0.8946
774 5UC 0.8944
775 PKU 0.8944
776 ABN 0.8942
777 DEN 0.8942
778 DQU 0.8941
779 YZM 0.8941
780 4P0 0.8940
781 M5K 0.8939
782 3SL 0.8938
783 2GS 0.8938
784 OHP 0.8938
785 HBX 0.8938
786 SD4 0.8937
787 SNO 0.8937
788 4HC 0.8936
789 FB1 0.8935
790 ES4 0.8934
791 9MG 0.8934
792 M1Q 0.8933
793 TAG 0.8932
794 35C 0.8931
795 1AL 0.8930
796 SHG 0.8929
797 6M1 0.8929
798 AQO 0.8928
799 4BL 0.8926
800 61M 0.8925
801 258 0.8925
802 GZ2 0.8925
803 10L 0.8924
804 TZE 0.8924
805 BQ2 0.8923
806 G6D 0.8923
807 TOF 0.8922
808 MT0 0.8921
809 BPY 0.8921
810 2AK 0.8921
811 SVD 0.8920
812 9R5 0.8920
813 R2P 0.8919
814 BTY 0.8918
815 XQG 0.8918
816 T6C 0.8917
817 ESP 0.8917
818 DRL 0.8916
819 PEQ 0.8915
820 KDV 0.8915
821 RMN 0.8915
822 RNO 0.8914
823 GUN 0.8914
824 FDR 0.8913
825 IND 0.8913
826 MUA 0.8913
827 4JU 0.8913
828 3DM 0.8912
829 X0W 0.8912
830 MWP 0.8912
831 0FO 0.8911
832 KBZ 0.8910
833 YPN 0.8910
834 GGL 0.8909
835 4JO 0.8909
836 S76 0.8909
837 K3Q 0.8908
838 MB1 0.8907
839 M5H 0.8906
840 60P 0.8906
841 QPR 0.8905
842 XRG 0.8905
843 EGR 0.8904
844 37T 0.8904
845 9DG 0.8904
846 BP9 0.8903
847 MZW 0.8903
848 DHQ 0.8903
849 DEE 0.8902
850 2A7 0.8902
851 495 0.8901
852 PCA 0.8901
853 9DA 0.8901
854 M6Z 0.8900
855 LRH 0.8900
856 ZZ3 0.8898
857 GWM 0.8897
858 PM6 0.8897
859 NQ 0.8896
860 ZYR 0.8895
861 BOA 0.8895
862 OKG 0.8895
863 BNL 0.8895
864 XBT 0.8895
865 5WY 0.8894
866 44W 0.8894
867 YH7 0.8893
868 XLS 0.8892
869 8U3 0.8892
870 2EC 0.8891
871 8TX 0.8891
872 HX4 0.8890
873 8W9 0.8887
874 SYN 0.8886
875 R9S 0.8885
876 LDU 0.8885
877 NK 0.8883
878 HLR 0.8883
879 HQ9 0.8882
880 GRE 0.8882
881 TBP 0.8882
882 BTE 0.8881
883 BP1 0.8881
884 1LN 0.8880
885 F4Z 0.8878
886 5JL 0.8878
887 1MR 0.8878
888 N7I 0.8878
889 BZI 0.8878
890 NBE 0.8878
891 0R0 0.8876
892 KTJ 0.8876
893 L22 0.8875
894 MAN 0.8875
895 EVF 0.8875
896 PEL 0.8873
897 7MX 0.8873
898 VK3 0.8873
899 FDB 0.8872
900 FK8 0.8872
901 TC7 0.8871
902 PHH 0.8870
903 SKF 0.8869
904 HSE 0.8869
905 FPY 0.8868
906 JTH 0.8867
907 H62 0.8866
908 QX4 0.8866
909 7HP 0.8866
910 TAR 0.8866
911 R8A 0.8865
912 AZF 0.8865
913 GZ3 0.8865
914 6QF 0.8864
915 JXN 0.8863
916 PY7 0.8863
917 FF2 0.8862
918 2BX 0.8862
919 DFU 0.8861
920 PPY 0.8861
921 8OZ 0.8860
922 LKA 0.8859
923 KMH 0.8859
924 25W 0.8857
925 9PY 0.8857
926 32X 0.8857
927 LZ1 0.8857
928 45C 0.8857
929 4A5 0.8856
930 150 0.8856
931 HHI 0.8856
932 XAN 0.8855
933 FUL 0.8853
934 URO 0.8853
935 PRO 0.8852
936 MVN 0.8852
937 TLA 0.8851
938 F81 0.8851
939 P7Y 0.8850
940 GAG 0.8849
941 PRA 0.8849
942 B55 0.8847
943 30G 0.8847
944 RD4 0.8847
945 BZJ 0.8847
946 7WA 0.8847
947 B53 0.8846
948 2QC 0.8846
949 4TU 0.8844
950 3HG 0.8844
951 DFB 0.8843
952 SMN 0.8841
953 BZF 0.8841
954 P3K 0.8840
955 LI6 0.8838
956 IOS 0.8838
957 MPI 0.8837
958 0VT 0.8837
959 JZ3 0.8836
960 GBD 0.8836
961 H76 0.8836
962 IUR 0.8834
963 9HX 0.8834
964 C21 0.8833
965 0R1 0.8833
966 27B 0.8832
967 5VL 0.8830
968 TT4 0.8830
969 K17 0.8829
970 AN3 0.8828
971 AZA 0.8828
972 RXA 0.8827
973 9X7 0.8826
974 BSP 0.8825
975 ZBT 0.8824
976 282 0.8824
977 CFF 0.8823
978 RBJ 0.8822
979 SRO 0.8822
980 1XM 0.8822
981 8K2 0.8821
982 FUC 0.8821
983 4VY 0.8821
984 1DV 0.8821
985 NID 0.8820
986 HZQ 0.8820
987 INE 0.8820
988 1L5 0.8819
989 0CT 0.8819
990 9KT 0.8818
991 SF9 0.8818
992 GVH 0.8818
993 FBF 0.8818
994 XQK 0.8816
995 2MH 0.8814
996 9RW 0.8813
997 IGA 0.8813
998 J6W 0.8812
999 EV0 0.8812
1000 PXM 0.8812
1001 141 0.8812
1002 SS2 0.8811
1003 4HP 0.8810
1004 FCA 0.8810
1005 Q02 0.8809
1006 B2J 0.8809
1007 CLZ 0.8809
1008 3SK 0.8809
1009 JZ5 0.8806
1010 BK9 0.8806
1011 505 0.8806
1012 7VJ 0.8806
1013 LR5 0.8806
1014 SME 0.8805
1015 8XQ 0.8805
1016 S7J 0.8803
1017 BNF 0.8803
1018 O2A 0.8800
1019 2D3 0.8800
1020 6VD 0.8800
1021 6F0 0.8800
1022 2DR 0.8797
1023 7ZE 0.8797
1024 SR1 0.8797
1025 TEO 0.8797
1026 0MK 0.8796
1027 ANC 0.8796
1028 1X7 0.8795
1029 95Z 0.8794
1030 TBS 0.8794
1031 MET 0.8794
1032 M6W 0.8794
1033 CXP 0.8794
1034 BCP 0.8794
1035 1XN 0.8794
1036 RIP 0.8792
1037 2CZ 0.8791
1038 EN1 0.8791
1039 FA6 0.8791
1040 1Z6 0.8790
1041 XXP 0.8790
1042 MZB 0.8789
1043 JFD 0.8789
1044 TEP 0.8789
1045 449 0.8787
1046 SMV 0.8787
1047 DX4 0.8786
1048 PQ0 0.8784
1049 6AP 0.8783
1050 23J 0.8782
1051 12M 0.8782
1052 GNM 0.8780
1053 QBM 0.8779
1054 344 0.8778
1055 CFP 0.8778
1056 D07 0.8776
1057 HCI 0.8776
1058 TP5 0.8776
1059 BZE 0.8776
1060 A2F 0.8775
1061 209 0.8775
1062 APS 0.8774
1063 XIZ 0.8769
1064 JIF 0.8768
1065 MFU 0.8767
1066 NDG 0.8767
1067 PHE 0.8766
1068 692 0.8765
1069 1WG 0.8764
1070 OHG 0.8764
1071 265 0.8763
1072 HLD 0.8763
1073 GCO 0.8762
1074 SG2 0.8761
1075 S0E 0.8761
1076 TZC 0.8761
1077 9YL 0.8760
1078 0GZ 0.8760
1079 AZG 0.8757
1080 152 0.8756
1081 2PC 0.8756
1082 F4K 0.8754
1083 FUM 0.8752
1084 NVU 0.8751
1085 RAM 0.8751
1086 HQE 0.8750
1087 JBN 0.8749
1088 PYQ 0.8748
1089 7I2 0.8748
1090 A09 0.8748
1091 BMA 0.8748
1092 JP2 0.8748
1093 OXQ 0.8745
1094 XYS 0.8745
1095 FOA 0.8743
1096 3QV 0.8743
1097 IDH 0.8742
1098 6GU 0.8742
1099 X0U 0.8742
1100 PH2 0.8741
1101 8IG 0.8739
1102 K32 0.8738
1103 4LW 0.8737
1104 BML 0.8736
1105 I6G 0.8736
1106 F1A 0.8735
1107 UY7 0.8735
1108 PXY 0.8735
1109 D3G 0.8734
1110 PH3 0.8734
1111 PCR 0.8734
1112 2ZQ 0.8732
1113 K6X 0.8732
1114 GO2 0.8730
1115 WOT 0.8730
1116 HYP 0.8729
1117 286 0.8729
1118 13P 0.8728
1119 UEG 0.8726
1120 5WX 0.8726
1121 E35 0.8724
1122 1U6 0.8723
1123 OTD 0.8723
1124 PYC 0.8722
1125 MAE 0.8722
1126 R9Y 0.8721
1127 UFO 0.8721
1128 X48 0.8720
1129 HX2 0.8720
1130 HH5 0.8719
1131 AIN 0.8718
1132 CIY 0.8718
1133 2ZV 0.8717
1134 4NZ 0.8716
1135 290 0.8715
1136 GHM 0.8713
1137 PFB 0.8712
1138 7D2 0.8711
1139 PRF 0.8709
1140 H33 0.8709
1141 F5B 0.8707
1142 JU2 0.8706
1143 0CU 0.8705
1144 ARP 0.8705
1145 HNQ 0.8705
1146 FCB 0.8704
1147 4CH 0.8704
1148 2K8 0.8703
1149 HHS 0.8703
1150 APG 0.8702
1151 G3H 0.8700
1152 LG4 0.8700
1153 AMG 0.8699
1154 NF3 0.8699
1155 PLQ 0.8699
1156 B60 0.8698
1157 HY3 0.8697
1158 091 0.8696
1159 JF1 0.8696
1160 KGK 0.8695
1161 SIN 0.8695
1162 3WA 0.8695
1163 9KH 0.8694
1164 1DU 0.8693
1165 47J 0.8692
1166 PMF 0.8692
1167 FBT 0.8692
1168 K8X 0.8691
1169 4HS 0.8690
1170 ANF 0.8686
1171 F2W 0.8685
1172 28N 0.8685
1173 EQT 0.8684
1174 G3P 0.8681
1175 4JP 0.8680
1176 FPN 0.8680
1177 3RK 0.8678
1178 JBQ 0.8678
1179 M2H 0.8678
1180 MAQ 0.8677
1181 4KL 0.8677
1182 RUY 0.8676
1183 L7T 0.8675
1184 1QP 0.8674
1185 273 0.8674
1186 HHR 0.8673
1187 DA1 0.8672
1188 AA 0.8671
1189 3AE 0.8671
1190 JYB 0.8668
1191 K22 0.8668
1192 CKA 0.8667
1193 39A 0.8667
1194 DNA 0.8665
1195 3R4 0.8662
1196 0XT 0.8660
1197 FHC 0.8651
1198 KMT 0.8650
1199 HXX 0.8650
1200 TZM 0.8648
1201 PGH 0.8647
1202 5CL 0.8645
1203 H5B 0.8644
1204 25R 0.8642
1205 IOL 0.8642
1206 ROI 0.8639
1207 G12 0.8639
1208 363 0.8638
1209 ARB 0.8637
1210 C9E 0.8635
1211 4JN 0.8633
1212 HSM 0.8629
1213 GIO 0.8628
1214 SYR 0.8627
1215 LDR 0.8626
1216 XXR 0.8624
1217 KYD 0.8622
1218 1XA 0.8620
1219 THA 0.8618
1220 JXW 0.8616
1221 GLY PRO 0.8615
1222 4I8 0.8615
1223 BNT 0.8610
1224 KIB 0.8610
1225 680 0.8607
1226 KFH 0.8606
1227 7B3 0.8603
1228 1WC 0.8601
1229 AES 0.8600
1230 Q71 0.8599
1231 M5N 0.8592
1232 P9E 0.8591
1233 EXO 0.8589
1234 CIT 0.8584
1235 V1T 0.8583
1236 9UL 0.8583
1237 7CZ 0.8581
1238 EUE 0.8578
1239 OQC 0.8571
1240 SXS 0.8570
1241 TFU 0.8569
1242 ADK 0.8566
1243 TMG 0.8558
1244 BPU 0.8556
1245 1VK 0.8556
1246 5NE 0.8553
1247 JAB 0.8552
1248 LSA 0.8551
1249 68A 0.8550
1250 0TR 0.8549
1251 20J 0.8539
1252 M3T 0.8535
1253 4VS 0.8523
1254 P80 0.8522
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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