Receptor
PDB id Resolution Class Description Source Keywords
3hhx 2 Å EC: 1.13.11.1 CRYSTAL STRUCTURE DETERMINATION OF CATECHOL 1,2-DIOXYGENASE RHODOCOCCUS OPACUS 1CP IN COMPLEX WITH PYROGALLOL RHODOCOCCUS OPACUS BETA-SANDWICH AROMATIC HYDROCARBONS CATABOLISM DIOXYGENASEMETAL-BINDING OXIDOREDUCTASE
Ref.: CATECHOL 1,2-DIOXYGENASE FROM THE GRAM-POSITIVE RHO OPACUS 1CP: QUANTITATIVE STRUCTURE/ACTIVITY RELATIO THE CRYSTAL STRUCTURES OF NATIVE ENZYME AND CATECHO ADDUCTS. J.STRUCT.BIOL. V. 170 548 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6PL A:282;
 Valid;
 none;
 submit data
763.1 C42 H85 N O8 P CCCCC...
FE A:281;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+3...
PYG A:283;
 Valid;
 none;
 Ki = 4.5 uM
126.11 C6 H6 O3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3I51 1.8 Å EC: 1.13.11.1 CRYSTAL STRUCTURE DETERMINATION OF CATECHOL 1,2-DIOXYGENASE RHODOCOCCUS OPACUS 1CP IN COMPLEX WITH 4,5-DICHLOROCATECHOL RHODOCOCCUS OPACUS BETA-SANDWICH AROMATIC HYDROCARBONS CATABOLISM DIOXYGENASEMETAL-BINDING OXIDOREDUCTASE
Ref.: CATECHOL 1,2-DIOXYGENASE FROM THE GRAM-POSITIVE RHO OPACUS 1CP: QUANTITATIVE STRUCTURE/ACTIVITY RELATIO AND THE CRYSTAL STRUCTURES OF NATIVE ENZYME AND CAT ADDUCTS. J.STRUCT.BIOL. V. 170 548 2010
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HJQ Ki = 6.5 uM MBD C7 H8 O2 Cc1cccc(c1....
2 3HKP Ki = 310 uM DHB C7 H6 O4 c1cc(c(cc1....
3 3I4V Ki = 0.7 uM 3CE C6 H5 Cl O2 c1cc(c(c(c....
4 3HHY Ki = 3 uM CAQ C6 H6 O2 c1ccc(c(c1....
5 3HJ8 Ki = 1.5 uM 4CL C6 H5 Cl O2 c1cc(c(cc1....
6 3HGI - BEZ C7 H6 O2 c1ccc(cc1)....
7 3HJS Ki = 4 uM MCT C7 H8 O2 Cc1ccc(c(c....
8 3I4Y Ki = 0.09 uM 35C C6 H4 Cl2 O2 c1c(cc(c(c....
9 3HHX Ki = 4.5 uM PYG C6 H6 O3 c1cc(c(c(c....
10 3I51 Ki = 0.02 uM 45C C6 H4 Cl2 O2 c1c(c(cc(c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HJQ Ki = 6.5 uM MBD C7 H8 O2 Cc1cccc(c1....
2 3HKP Ki = 310 uM DHB C7 H6 O4 c1cc(c(cc1....
3 3I4V Ki = 0.7 uM 3CE C6 H5 Cl O2 c1cc(c(c(c....
4 3HHY Ki = 3 uM CAQ C6 H6 O2 c1ccc(c(c1....
5 3HJ8 Ki = 1.5 uM 4CL C6 H5 Cl O2 c1cc(c(cc1....
6 3HGI - BEZ C7 H6 O2 c1ccc(cc1)....
7 3HJS Ki = 4 uM MCT C7 H8 O2 Cc1ccc(c(c....
8 3I4Y Ki = 0.09 uM 35C C6 H4 Cl2 O2 c1c(cc(c(c....
9 3HHX Ki = 4.5 uM PYG C6 H6 O3 c1cc(c(c(c....
10 3I51 Ki = 0.02 uM 45C C6 H4 Cl2 O2 c1c(c(cc(c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HJQ Ki = 6.5 uM MBD C7 H8 O2 Cc1cccc(c1....
2 3HKP Ki = 310 uM DHB C7 H6 O4 c1cc(c(cc1....
3 3I4V Ki = 0.7 uM 3CE C6 H5 Cl O2 c1cc(c(c(c....
4 3HHY Ki = 3 uM CAQ C6 H6 O2 c1ccc(c(c1....
5 3HJ8 Ki = 1.5 uM 4CL C6 H5 Cl O2 c1cc(c(cc1....
6 3HGI - BEZ C7 H6 O2 c1ccc(cc1)....
7 3HJS Ki = 4 uM MCT C7 H8 O2 Cc1ccc(c(c....
8 3I4Y Ki = 0.09 uM 35C C6 H4 Cl2 O2 c1c(cc(c(c....
9 3HHX Ki = 4.5 uM PYG C6 H6 O3 c1cc(c(c(c....
10 3I51 Ki = 0.02 uM 45C C6 H4 Cl2 O2 c1c(c(cc(c....
11 2BOY - BHO C7 H7 N O2 c1ccc(cc1)....
12 1S9A - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6PL; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 PC7 1 1
2 HGP 1 1
3 6PL 1 1
4 LIO 1 1
5 HGX 1 1
6 PX4 1 1
7 PLD 1 1
8 XP5 0.935484 1
9 HXG 0.873016 1
10 PCW 0.871429 0.981481
11 PCK 0.847222 0.946429
12 3PE 0.80303 0.793103
13 PEV 0.80303 0.793103
14 8PE 0.80303 0.793103
15 PEF 0.80303 0.793103
16 PEH 0.80303 0.793103
17 PTY 0.80303 0.793103
18 PSC 0.792208 0.981481
19 9PE 0.791045 0.793103
20 PEE 0.764706 0.810345
21 CD4 0.735294 0.727273
22 PC1 0.732394 0.924528
23 MC3 0.732394 0.924528
24 PCF 0.732394 0.924528
25 PGT 0.714286 0.701754
26 LHG 0.714286 0.701754
27 6OU 0.706667 0.779661
28 L9Q 0.706667 0.779661
29 LOP 0.706667 0.779661
30 RXY 0.697368 0.779661
31 P5S 0.694444 0.745763
32 K6G 0.685714 0.963636
33 LP3 0.685714 0.963636
34 LPC 0.685714 0.963636
35 LAP 0.685714 0.963636
36 F57 0.681818 0.727273
37 7PH 0.681818 0.727273
38 6PH 0.681818 0.727273
39 LPP 0.681818 0.727273
40 3PH 0.681818 0.727273
41 8SP 0.680556 0.745763
42 7P9 0.671642 0.727273
43 PX2 0.671642 0.773585
44 PX8 0.671642 0.773585
45 ZPE 0.666667 0.779661
46 CN3 0.657895 0.727273
47 PA8 0.656716 0.773585
48 LBN 0.65 0.907407
49 L9R 0.65 0.907407
50 POV 0.65 0.907407
51 GP7 0.638554 0.779661
52 PEK 0.634146 0.779661
53 PGW 0.632911 0.689655
54 D3D 0.632911 0.689655
55 PII 0.631579 0.655738
56 CN6 0.631579 0.727273
57 PD7 0.626866 0.727273
58 DR9 0.625 0.689655
59 PGV 0.625 0.689655
60 P6L 0.617284 0.689655
61 PGK 0.617284 0.666667
62 PIF 0.615385 0.645161
63 44G 0.611111 0.701754
64 P50 0.609756 0.745763
65 OZ2 0.609756 0.689655
66 CDL 0.608108 0.722222
67 42H 0.607595 0.946429
68 PIZ 0.604938 0.655738
69 M7U 0.6 0.727273
70 D21 0.6 0.714286
71 DGG 0.595238 0.666667
72 PSF 0.594595 0.745763
73 43Y 0.594203 0.962264
74 52N 0.592593 0.645161
75 PIO 0.592593 0.645161
76 IP9 0.592593 0.655738
77 PG8 0.578947 0.701754
78 DLP 0.574713 0.907407
79 44E 0.573529 0.727273
80 B7N 0.564706 0.645161
81 8ND 0.56338 0.614035
82 PC5 0.56 0.824561
83 PDK 0.55914 0.777778
84 AGA 0.544304 0.701754
85 EPH 0.537634 0.779661
86 LPX 0.533333 0.775862
87 3PC 0.531646 0.90566
88 PIE 0.522727 0.629032
89 P3A 0.505618 0.689655
90 T7X 0.505376 0.645161
91 PQJ 0.477612 0.886792
92 OPC 0.472527 0.963636
93 LPE 0.467532 0.909091
94 NKO 0.452055 0.696429
95 NKN 0.452055 0.696429
96 CN5 0.451219 0.745455
97 SPU 0.445783 0.803279
98 3XU 0.44086 0.809524
99 OCB 0.438356 0.796296
100 S12 0.41573 0.716667
101 I35 0.409639 0.606557
102 NKP 0.402439 0.684211
Ligand no: 2; Ligand: PYG; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PYG 1 1
2 MBD 0.5 0.809524
3 3FA 0.5 0.708333
4 3CE 0.5 0.708333
5 23A 0.444444 0.904762
6 DBH 0.428571 0.869565
7 P3K 0.428571 0.708333
8 CAQ 0.421053 0.85
Similar Ligands (3D)
Ligand no: 1; Ligand: 6PL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: PYG; Similar ligands found: 885
No: Ligand Similarity coefficient
1 XYS 1.0354
2 XYP 1.0319
3 6MH 1.0000
4 2CM 1.0000
5 TM4 1.0000
6 3MC 1.0000
7 2MY 1.0000
8 FFP 1.0000
9 2C9 1.0000
10 FLM 1.0000
11 GMN 1.0000
12 DUB 0.9988
13 3MH 0.9982
14 LXC 0.9980
15 64K 0.9923
16 TMT 0.9883
17 94N 0.9876
18 IFM 0.9853
19 TMZ 0.9848
20 DFB 0.9800
21 ARA 0.9791
22 3ZQ 0.9761
23 284 0.9746
24 0MK 0.9741
25 AZF 0.9740
26 OXZ 0.9732
27 RP7 0.9727
28 4XX 0.9719
29 40O 0.9701
30 CRS 0.9699
31 RCO 0.9699
32 F81 0.9694
33 LG3 0.9683
34 26D 0.9677
35 AHR 0.9676
36 CYT 0.9675
37 BTE 0.9668
38 URA 0.9665
39 3CH 0.9665
40 7HP 0.9660
41 ARB 0.9652
42 ADE 0.9649
43 IDH 0.9647
44 RSF 0.9646
45 BVF 0.9633
46 LG5 0.9632
47 SEJ 0.9630
48 HPA 0.9629
49 DUC 0.9627
50 6MP 0.9620
51 8GF 0.9617
52 9DA 0.9606
53 9HX 0.9599
54 1MC 0.9598
55 HPY 0.9596
56 BEW 0.9592
57 CIG 0.9590
58 PM6 0.9590
59 2CH 0.9590
60 ES4 0.9589
61 6UA 0.9586
62 FCA 0.9581
63 0TR 0.9581
64 7WA 0.9579
65 1AN 0.9577
66 WBU 0.9571
67 8LG 0.9571
68 HGQ 0.9571
69 B3R 0.9568
70 92Z 0.9566
71 4H2 0.9564
72 FP2 0.9564
73 M3T 0.9560
74 1XX 0.9556
75 URF 0.9553
76 ASO 0.9553
77 TDR 0.9552
78 JIF 0.9550
79 BP1 0.9548
80 NK 0.9547
81 L89 0.9546
82 MCT 0.9539
83 6X8 0.9535
84 PYD 0.9535
85 ICP 0.9535
86 HTS 0.9533
87 WDL 0.9533
88 4HO 0.9533
89 2AF 0.9532
90 76X 0.9532
91 93Q 0.9530
92 A1U 0.9529
93 QOS 0.9529
94 5ZE 0.9528
95 13X 0.9527
96 ECE 0.9525
97 BR8 0.9525
98 HAI 0.9525
99 AX2 0.9525
100 10L 0.9524
101 3AY 0.9523
102 RIP 0.9519
103 EDG 0.9517
104 R2B 0.9516
105 OXE 0.9515
106 G6D 0.9515
107 2AC 0.9514
108 FPY 0.9514
109 FUC 0.9514
110 5UC 0.9513
111 CXL 0.9512
112 7CZ 0.9510
113 MWM 0.9509
114 4ZE 0.9509
115 HEW 0.9508
116 XYD 0.9508
117 YTB 0.9508
118 2ZX 0.9507
119 FYU 0.9506
120 1AB 0.9505
121 GLC 0.9499
122 MAK 0.9498
123 2MP 0.9496
124 ALO 0.9495
125 34A 0.9495
126 L3Q 0.9494
127 JZ3 0.9493
128 CYH 0.9493
129 938 0.9490
130 F05 0.9489
131 4JJ 0.9489
132 JZ0 0.9488
133 25W 0.9487
134 1PT 0.9486
135 ADK 0.9483
136 R8A 0.9483
137 7MH 0.9480
138 XBZ 0.9478
139 5AN 0.9478
140 4CL 0.9477
141 TH0 0.9477
142 G2F 0.9476
143 4JU 0.9476
144 3MA 0.9469
145 NOY 0.9467
146 FUF 0.9463
147 ERH 0.9461
148 JZ2 0.9460
149 260 0.9460
150 LCN 0.9459
151 9EW 0.9457
152 5MH 0.9455
153 43M 0.9452
154 BR9 0.9450
155 3DM 0.9448
156 SVN 0.9446
157 YHO 0.9446
158 NOJ 0.9445
159 NEQ 0.9445
160 285 0.9443
161 HHQ 0.9443
162 FUL 0.9442
163 4JO 0.9440
164 AGK 0.9440
165 V1L 0.9437
166 27Y 0.9436
167 0R0 0.9435
168 DFU 0.9430
169 35C 0.9430
170 A2Q 0.9429
171 3RK 0.9423
172 286 0.9421
173 HLR 0.9421
174 TM7 0.9421
175 T6C 0.9420
176 MZG 0.9419
177 ICC 0.9419
178 2YU 0.9414
179 0CT 0.9410
180 KIV 0.9410
181 2ZV 0.9409
182 H3M 0.9405
183 DMJ 0.9405
184 BGC 0.9405
185 MNM 0.9400
186 6F0 0.9399
187 VAL 0.9396
188 G3F 0.9396
189 IUR 0.9396
190 275 0.9396
191 MWJ 0.9394
192 2MH 0.9391
193 MRY 0.9388
194 GRE 0.9385
195 GVH 0.9384
196 2XX 0.9380
197 JZ1 0.9379
198 XXR 0.9377
199 5JC 0.9377
200 2DR 0.9376
201 GBD 0.9375
202 IPH 0.9374
203 HT4 0.9374
204 60P 0.9373
205 JFD 0.9370
206 4JP 0.9369
207 KYD 0.9367
208 ABE 0.9363
209 ADZ 0.9363
210 IND 0.9361
211 BZF 0.9361
212 IFL 0.9360
213 FPN 0.9359
214 7B4 0.9357
215 PLQ 0.9356
216 DEN 0.9355
217 0R1 0.9354
218 MPI 0.9354
219 3XX 0.9354
220 IDM 0.9354
221 2IM 0.9354
222 L60 0.9353
223 EQT 0.9347
224 DIE 0.9346
225 LG4 0.9345
226 DGY 0.9345
227 SJ5 0.9344
228 MSN 0.9341
229 BZI 0.9341
230 MBN 0.9340
231 3M0 0.9339
232 HQE 0.9339
233 YAN 0.9338
234 JBK 0.9337
235 SAL 0.9335
236 HMU 0.9334
237 0RW 0.9333
238 GIF 0.9332
239 DTL 0.9332
240 3U4 0.9329
241 MLT 0.9329
242 8S0 0.9329
243 DA1 0.9327
244 23W 0.9322
245 F5B 0.9320
246 6AI 0.9320
247 PCR 0.9318
248 EXO 0.9317
249 MAN 0.9315
250 9PO 0.9315
251 BE2 0.9314
252 HHA 0.9313
253 4SV 0.9312
254 RIB 0.9312
255 282 0.9308
256 3F0 0.9308
257 OXQ 0.9308
258 WOT 0.9307
259 BZX 0.9307
260 93B 0.9307
261 7EX 0.9306
262 PXY 0.9303
263 3AP 0.9303
264 4AP 0.9302
265 TBP 0.9300
266 FE DB1 0.9298
267 INS 0.9297
268 HRZ 0.9295
269 GCS 0.9293
270 25R 0.9291
271 ISE 0.9291
272 6M4 0.9291
273 JZ9 0.9289
274 LZ1 0.9287
275 GOO 0.9287
276 FPI 0.9285
277 CEJ 0.9283
278 8CL 0.9283
279 82I 0.9283
280 1XN 0.9282
281 HVK 0.9282
282 2AP 0.9281
283 TLD 0.9281
284 RAM 0.9281
285 PAF 0.9279
286 GUN 0.9279
287 3HA 0.9277
288 LGA 0.9276
289 ES6 0.9274
290 4HS 0.9274
291 TCZ 0.9273
292 Z6J 0.9269
293 25T 0.9268
294 47J 0.9266
295 MB3 0.9266
296 JBE 0.9263
297 SER 0.9262
298 XAN 0.9261
299 M1E 0.9261
300 GXE 0.9260
301 M1A 0.9259
302 AMC 0.9258
303 5Q0 0.9257
304 DXX 0.9256
305 6M1 0.9255
306 LDU 0.9254
307 1NP 0.9252
308 DTI 0.9252
309 HSL 0.9252
310 DSN 0.9252
311 GAG 0.9251
312 AZA 0.9251
313 DAB 0.9250
314 24T 0.9250
315 IGA 0.9248
316 280 0.9248
317 1WD 0.9247
318 5AC 0.9246
319 KSW 0.9245
320 24B 0.9245
321 4CH 0.9245
322 HQY 0.9244
323 SYN 0.9244
324 LGC 0.9243
325 5SG 0.9241
326 MFB 0.9240
327 2A7 0.9239
328 9DG 0.9236
329 6AP 0.9234
330 8H8 0.9234
331 N5J 0.9233
332 BML 0.9232
333 A2F 0.9231
334 ZZT 0.9230
335 SWD 0.9229
336 5H1 0.9229
337 5MB 0.9228
338 O72 0.9226
339 S76 0.9226
340 HYN 0.9225
341 9TY 0.9223
342 Y8I 0.9222
343 ES1 0.9221
344 6M9 0.9221
345 RNS 0.9220
346 HMH 0.9219
347 YH7 0.9218
348 AZG 0.9218
349 JPZ 0.9217
350 4YS 0.9217
351 J1Z 0.9215
352 HBX 0.9215
353 C2A 0.9213
354 141 0.9212
355 290 0.9211
356 14O 0.9211
357 1LQ 0.9210
358 2K4 0.9210
359 A3B 0.9209
360 24W 0.9209
361 1LM 0.9208
362 5IQ 0.9207
363 67N 0.9207
364 4JN 0.9207
365 F60 0.9206
366 4AX 0.9205
367 39A 0.9204
368 LER 0.9204
369 6HQ 0.9202
370 3DO 0.9202
371 5MI 0.9201
372 GIO 0.9200
373 JBH 0.9198
374 7HQ 0.9198
375 ABN 0.9193
376 ES9 0.9193
377 1DH 0.9192
378 B53 0.9190
379 MZW 0.9190
380 1SQ 0.9185
381 94B 0.9182
382 FCB 0.9180
383 KBG 0.9179
384 1XM 0.9178
385 JKE 0.9178
386 HH8 0.9176
387 HY3 0.9174
388 TTO 0.9174
389 M2H 0.9171
390 PYF 0.9168
391 4XR 0.9168
392 11S 0.9167
393 ARW 0.9167
394 HHN 0.9166
395 1WG 0.9166
396 XQG 0.9165
397 FUB 0.9165
398 E60 0.9164
399 278 0.9164
400 BOA 0.9161
401 KPL 0.9161
402 3Z7 0.9160
403 CFP 0.9159
404 12M 0.9158
405 1DW 0.9157
406 BMA 0.9154
407 HFB 0.9153
408 RM4 0.9150
409 NSP 0.9149
410 NBE 0.9148
411 BDF 0.9146
412 AUD 0.9142
413 6GU 0.9141
414 4PW 0.9140
415 I3A 0.9139
416 4XH 0.9139
417 XQ0 0.9138
418 AFR 0.9137
419 KOJ 0.9131
420 MMZ 0.9130
421 150 0.9129
422 FK1 0.9126
423 DX4 0.9126
424 4ZC 0.9126
425 BCF 0.9125
426 R8S 0.9125
427 H4N 0.9125
428 GAL 0.9125
429 7WV 0.9124
430 5WX 0.9123
431 948 0.9123
432 PY7 0.9122
433 SOE 0.9122
434 LRH 0.9120
435 PIH 0.9120
436 HIU 0.9119
437 ZZ3 0.9119
438 B57 0.9116
439 QUZ 0.9112
440 APY 0.9112
441 RB5 0.9111
442 IOL 0.9110
443 DQN 0.9110
444 O7U 0.9108
445 FLA 0.9105
446 NPY 0.9104
447 5CL 0.9103
448 G5V 0.9103
449 HBA 0.9103
450 DMG 0.9101
451 DBJ 0.9101
452 Q88 0.9101
453 VNJ 0.9100
454 XIX 0.9099
455 GLF 0.9099
456 9CL 0.9097
457 H76 0.9092
458 BBF 0.9092
459 PA1 0.9091
460 1MR 0.9090
461 0CU 0.9088
462 JAE 0.9088
463 DGJ 0.9088
464 HGW 0.9086
465 2CK 0.9085
466 ZWZ 0.9083
467 2CQ 0.9082
468 270 0.9080
469 3WA 0.9076
470 TH7 0.9074
471 BCP 0.9074
472 KIB 0.9072
473 KIA 0.9072
474 PYJ 0.9071
475 DMI 0.9069
476 OAA 0.9064
477 FP1 0.9064
478 8NY 0.9064
479 HH5 0.9062
480 LYL 0.9061
481 P92 0.9060
482 MLA 0.9059
483 NMJ 0.9057
484 JBQ 0.9053
485 YSO 0.9050
486 BEZ 0.9050
487 B24 0.9048
488 HUI 0.9048
489 CGB 0.9047
490 LZM 0.9046
491 2KT 0.9044
492 UEG 0.9044
493 45C 0.9044
494 3SK 0.9037
495 SHG 0.9035
496 6KX 0.9034
497 95Z 0.9033
498 FDB 0.9033
499 GXL 0.9032
500 F3B 0.9030
501 FPK 0.9028
502 THR 0.9026
503 RUU 0.9026
504 IBF 0.9025
505 GAF 0.9024
506 5NU 0.9024
507 CWM 0.9021
508 ASN 0.9020
509 G4D 0.9015
510 MLI 0.9015
511 I1N 0.9014
512 AX7 0.9012
513 TFU 0.9011
514 KG7 0.9010
515 IP0 0.9009
516 8GC 0.9008
517 NCA 0.9007
518 PHB 0.9007
519 2MI 0.9007
520 ES0 0.9007
521 GAB 0.9006
522 BHA 0.9005
523 GLA 0.9005
524 6LW 0.9004
525 BEN 0.9003
526 TLA 0.9003
527 NBZ 0.9003
528 6CS 0.9002
529 YCP 0.9002
530 DOB 0.9001
531 2FG 0.9000
532 FH2 0.8996
533 4VP 0.8996
534 261 0.8996
535 KP6 0.8995
536 X6X 0.8994
537 4M0 0.8993
538 GYE 0.8992
539 MMA 0.8991
540 HJP 0.8991
541 PCI 0.8986
542 FA0 0.8986
543 1GN 0.8985
544 3MG 0.8985
545 7W4 0.8984
546 5RG 0.8983
547 PAV 0.8983
548 KJY 0.8983
549 TC7 0.8983
550 3PY 0.8982
551 3NT 0.8982
552 7VJ 0.8980
553 CYS 0.8979
554 PXL 0.8977
555 URQ 0.8976
556 MFU 0.8975
557 4CS 0.8974
558 3OC 0.8971
559 GTQ 0.8969
560 2H5 0.8969
561 F4Z 0.8968
562 HLZ 0.8967
563 5CU 0.8967
564 9MG 0.8967
565 IF7 0.8961
566 HXX 0.8959
567 KKN 0.8959
568 FDK 0.8957
569 GIV 0.8955
570 TAR 0.8952
571 6PC 0.8952
572 PFB 0.8952
573 ISN 0.8951
574 AKB 0.8951
575 NIO 0.8948
576 1LN 0.8947
577 C5J 0.8945
578 149 0.8944
579 DTU 0.8943
580 XM0 0.8943
581 CRN 0.8940
582 7NI 0.8940
583 ABV 0.8934
584 32O 0.8934
585 LMR 0.8934
586 54G 0.8933
587 HX3 0.8933
588 ES7 0.8932
589 3IT 0.8931
590 BAM 0.8931
591 5M0 0.8930
592 ASP 0.8930
593 42A 0.8928
594 BSX 0.8927
595 M0W 0.8926
596 RM1 0.8926
597 5MK 0.8923
598 FRU 0.8923
599 5WV 0.8922
600 ITN 0.8921
601 UNC 0.8921
602 5HN 0.8921
603 PBE 0.8920
604 PRO 0.8920
605 PZA 0.8919
606 9X7 0.8917
607 7VS 0.8915
608 4HM 0.8912
609 PXM 0.8910
610 FOA 0.8909
611 HZQ 0.8908
612 VGL 0.8908
613 M0Q 0.8908
614 IJZ 0.8906
615 BDP 0.8906
616 B55 0.8905
617 3AB 0.8905
618 2D0 0.8904
619 TZE 0.8902
620 51F 0.8902
621 TEP 0.8901
622 2LP 0.8900
623 ALL 0.8897
624 42C 0.8897
625 CIZ 0.8896
626 DCY 0.8896
627 II6 0.8895
628 03V 0.8893
629 YIO 0.8893
630 Q6T 0.8892
631 495 0.8891
632 SWA 0.8891
633 3HB 0.8890
634 2PC 0.8889
635 JZ4 0.8889
636 P2D 0.8888
637 34V 0.8888
638 1P3 0.8888
639 BP9 0.8886
640 265 0.8885
641 M1H 0.8883
642 FOT 0.8881
643 N8P 0.8881
644 GCU 0.8880
645 MT0 0.8877
646 4AA 0.8876
647 PE0 0.8875
648 9TZ 0.8874
649 PRY 0.8873
650 UNU 0.8872
651 JB5 0.8872
652 SX1 0.8872
653 NTN 0.8871
654 MZ0 0.8871
655 COU 0.8868
656 WOO 0.8866
657 FBT 0.8865
658 PYC 0.8864
659 2MN 0.8864
660 OVV 0.8864
661 32X 0.8862
662 5OB 0.8861
663 QSC 0.8861
664 OHG 0.8860
665 CN0 0.8859
666 MZB 0.8858
667 53C 0.8852
668 273 0.8851
669 AKH 0.8849
670 2AQ 0.8849
671 4JL 0.8847
672 IPB 0.8846
673 PCA 0.8846
674 DMD 0.8842
675 12B 0.8841
676 FBA 0.8841
677 R8V 0.8840
678 F0J 0.8840
679 C2U 0.8839
680 4FS 0.8837
681 H8N 0.8836
682 HIO 0.8832
683 JBN 0.8832
684 N7P 0.8831
685 2EC 0.8831
686 AZ8 0.8830
687 3ID 0.8830
688 KT7 0.8829
689 ES5 0.8826
690 4JM 0.8826
691 Q24 0.8825
692 WCE 0.8822
693 BTY 0.8821
694 SMV 0.8821
695 A7W 0.8819
696 8TX 0.8816
697 RHU 0.8816
698 H42 0.8816
699 QWN 0.8815
700 TP5 0.8813
701 C21 0.8813
702 DHQ 0.8813
703 BRT 0.8811
704 IT2 0.8811
705 8IG 0.8810
706 3BZ 0.8810
707 M58 0.8809
708 KJH 0.8809
709 XUL 0.8809
710 NTM 0.8808
711 NPO 0.8808
712 1P7 0.8805
713 75K 0.8803
714 GLT 0.8800
715 SRT 0.8798
716 TFB 0.8798
717 5B1 0.8797
718 ZB1 0.8796
719 URP 0.8795
720 HQT 0.8795
721 LSA 0.8792
722 SFU 0.8792
723 URC 0.8790
724 MRW 0.8789
725 JAB 0.8788
726 12Q 0.8788
727 PYQ 0.8788
728 OCH 0.8787
729 MEW 0.8786
730 BVC 0.8785
731 AQO 0.8784
732 OXC 0.8783
733 TZC 0.8782
734 BZ3 0.8781
735 5JQ 0.8781
736 M5K 0.8780
737 A65 0.8779
738 M6N 0.8775
739 BHO 0.8775
740 5VM 0.8772
741 7W1 0.8771
742 DIU 0.8769
743 4NC 0.8767
744 LKA 0.8767
745 MBG 0.8767
746 DOR 0.8766
747 5DI 0.8765
748 MRZ 0.8765
749 2A9 0.8765
750 IPZ 0.8764
751 37T 0.8764
752 SF9 0.8764
753 DCD 0.8763
754 3FH 0.8762
755 CLW 0.8762
756 V55 0.8762
757 VGD 0.8759
758 EUG 0.8756
759 4M4 0.8756
760 BNZ 0.8756
761 ORO 0.8755
762 DZX 0.8755
763 1P8 0.8755
764 FBV 0.8755
765 KLW 0.8753
766 DHK 0.8753
767 AMT 0.8753
768 XBT 0.8752
769 1U6 0.8752
770 36R 0.8752
771 PHT 0.8751
772 QXW 0.8750
773 ET2 0.8750
774 B20 0.8748
775 5JL 0.8748
776 AC0 0.8747
777 FAN 0.8747
778 NDM 0.8746
779 PBC 0.8744
780 TMH 0.8743
781 EA1 0.8742
782 BAQ 0.8738
783 1DU 0.8738
784 680 0.8738
785 SS1 0.8737
786 HSE 0.8734
787 HYP 0.8733
788 C2B 0.8732
789 GCB 0.8732
790 4HC 0.8732
791 1CB 0.8730
792 HVQ 0.8729
793 SS2 0.8728
794 5QX 0.8727
795 GLU 0.8727
796 0PY 0.8726
797 ASC 0.8725
798 IV2 0.8724
799 3V4 0.8724
800 ABA 0.8721
801 1AC 0.8719
802 NVI 0.8717
803 PBR 0.8716
804 ES2 0.8716
805 ATQ 0.8713
806 UY7 0.8709
807 K5W 0.8706
808 3MT 0.8706
809 RPQ 0.8703
810 DIN 0.8701
811 0W8 0.8696
812 AJ2 0.8695
813 PHZ 0.8694
814 DRL 0.8688
815 RSO 0.8687
816 MAE 0.8685
817 MO8 0.8682
818 5RN 0.8681
819 D3M 0.8679
820 TTL 0.8679
821 QWW 0.8676
822 PQ0 0.8675
823 D07 0.8675
824 MR1 0.8674
825 0P6 0.8672
826 FBB 0.8672
827 14J 0.8670
828 AAE 0.8670
829 QX2 0.8669
830 XAZ 0.8669
831 FQI 0.8666
832 GBL 0.8666
833 P1R 0.8664
834 BVG 0.8661
835 NQ 0.8660
836 SKA 0.8660
837 34D 0.8651
838 HBD 0.8650
839 826 0.8650
840 EVA 0.8649
841 JUG 0.8647
842 GOG 0.8645
843 9X6 0.8644
844 OXM 0.8644
845 CWS 0.8643
846 717 0.8643
847 PBZ 0.8640
848 PAB 0.8636
849 4MA 0.8635
850 JZ5 0.8634
851 1Y6 0.8633
852 AW5 0.8633
853 F9Y 0.8631
854 BNS 0.8626
855 D1X 0.8623
856 3TR 0.8622
857 8WT 0.8617
858 174 0.8611
859 INE 0.8610
860 G1O 0.8606
861 VNL 0.8604
862 Z82 0.8601
863 PEL 0.8600
864 OXL 0.8599
865 40E 0.8598
866 CEE 0.8594
867 HOW 0.8581
868 DHB 0.8580
869 7WG 0.8575
870 PYR 0.8569
871 PEA 0.8569
872 JFJ 0.8567
873 FB1 0.8567
874 K17 0.8558
875 7N0 0.8557
876 PFL 0.8552
877 OXD 0.8543
878 5MP 0.8542
879 192 0.8537
880 MR3 0.8530
881 PZI 0.8525
882 2MZ 0.8525
883 DAL 0.8523
884 TTY 0.8521
885 93K 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3I51; Ligand: 45C; 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: 3i51.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3I51; Ligand: 45C; 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: 3i51.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3I51; Ligand: 6PL; 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: 3i51.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3I51; Ligand: 6PL; 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: 3i51.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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