Receptor
PDB id Resolution Class Description Source Keywords
3i4v 2 Å EC: 1.13.11.1 CRYSTAL STRUCTURE DETERMINATION OF CATECHOL 1,2-DIOXYGENASE RHODOCOCCUS OPACUS 1CP IN COMPLEX WITH 3-CHLOROCATECHOL RHODOCOCCUS OPACUS BETA-SANDWICH OXIDOREDUCTASE AROMATIC HYDROCARBONS CATABOLDIOXYGENASE IRON METAL-BINDING
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3CE A:282;
Valid;
none;
Ki = 0.7 uM
144.556 C6 H5 Cl O2 c1cc(...
6PL A:283;
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...
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: 3CE; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 3CE 1 1
2 DUB 0.583333 0.809524
3 PYG 0.5 0.708333
4 2CH 0.444444 0.809524
5 BP6 0.444444 0.84
6 BP3 0.421053 0.875
7 23A 0.40625 0.708333
8 MBD 0.4 0.772727
9 3FA 0.4 0.909091
Ligand no: 2; 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
Similar Ligands (3D)
Ligand no: 1; Ligand: 3CE; Similar ligands found: 790
No: Ligand Similarity coefficient
1 2CM 1.0000
2 6MH 1.0000
3 2C9 0.9999
4 2MY 0.9977
5 3MH 0.9973
6 XYP 0.9971
7 FLM 0.9947
8 GMN 0.9947
9 FFP 0.9944
10 3MC 0.9943
11 TM4 0.9921
12 94N 0.9911
13 LXC 0.9868
14 XYS 0.9770
15 TMT 0.9767
16 TMZ 0.9762
17 P3K 0.9752
18 4XX 0.9702
19 284 0.9689
20 DFB 0.9686
21 64K 0.9681
22 CRS 0.9677
23 AZF 0.9664
24 IFM 0.9650
25 RCO 0.9648
26 LG3 0.9636
27 3ZQ 0.9633
28 AHR 0.9625
29 CYT 0.9624
30 F81 0.9619
31 26D 0.9619
32 3CH 0.9616
33 B3R 0.9616
34 BVF 0.9614
35 OXZ 0.9612
36 RSF 0.9611
37 URA 0.9609
38 HGQ 0.9607
39 LG5 0.9594
40 938 0.9589
41 HEW 0.9587
42 8GF 0.9585
43 HTS 0.9581
44 BTE 0.9576
45 CIG 0.9573
46 6X8 0.9572
47 HHQ 0.9555
48 4H2 0.9553
49 M3T 0.9553
50 PM6 0.9544
51 CAQ 0.9539
52 40O 0.9539
53 BP1 0.9526
54 JZ3 0.9509
55 1AN 0.9508
56 FP2 0.9506
57 92Z 0.9505
58 8LG 0.9503
59 GLC 0.9502
60 ADE 0.9500
61 NEQ 0.9497
62 BEW 0.9496
63 1XX 0.9494
64 6MP 0.9494
65 ES4 0.9494
66 L89 0.9492
67 ARA 0.9491
68 SEJ 0.9486
69 URF 0.9482
70 OXE 0.9477
71 ARB 0.9475
72 7CZ 0.9474
73 6UA 0.9472
74 BGC 0.9471
75 93Q 0.9470
76 2AF 0.9470
77 35C 0.9470
78 7MH 0.9470
79 0MK 0.9469
80 HPA 0.9466
81 TDR 0.9460
82 ADK 0.9458
83 DUC 0.9453
84 5ZE 0.9447
85 NK 0.9444
86 5UC 0.9443
87 1PT 0.9443
88 G3F 0.9440
89 2DR 0.9439
90 3AY 0.9438
91 NOJ 0.9436
92 0R0 0.9435
93 WBU 0.9435
94 CYH 0.9432
95 JIF 0.9430
96 13X 0.9429
97 76X 0.9427
98 BR9 0.9423
99 2ZX 0.9421
100 25W 0.9417
101 285 0.9412
102 ICP 0.9411
103 FUC 0.9410
104 MCT 0.9410
105 T6C 0.9410
106 0TR 0.9410
107 AX2 0.9404
108 1MC 0.9398
109 4HO 0.9398
110 G6D 0.9391
111 4JJ 0.9389
112 27Y 0.9389
113 9HX 0.9387
114 FYU 0.9386
115 CXL 0.9385
116 BR8 0.9384
117 260 0.9380
118 JZ0 0.9380
119 YTB 0.9379
120 4CL 0.9377
121 ECE 0.9377
122 GCS 0.9377
123 XYD 0.9376
124 2AC 0.9376
125 A1U 0.9376
126 QOS 0.9376
127 MWM 0.9370
128 JZ2 0.9369
129 7HP 0.9368
130 8S0 0.9368
131 5JC 0.9367
132 MZG 0.9367
133 4ZE 0.9366
134 IDH 0.9365
135 WDL 0.9361
136 9DA 0.9359
137 RIP 0.9357
138 43M 0.9356
139 G2F 0.9355
140 3MA 0.9354
141 TH0 0.9351
142 TBP 0.9350
143 F05 0.9349
144 HAI 0.9348
145 7B4 0.9347
146 XBZ 0.9346
147 MWJ 0.9342
148 PYD 0.9339
149 7WA 0.9336
150 VAL 0.9334
151 HPY 0.9331
152 4JO 0.9329
153 286 0.9326
154 SVN 0.9322
155 HT4 0.9321
156 JFD 0.9320
157 YAN 0.9320
158 IPH 0.9315
159 KIV 0.9315
160 IUR 0.9314
161 MAK 0.9313
162 H3M 0.9311
163 3XX 0.9304
164 TM7 0.9304
165 6F0 0.9303
166 2IM 0.9303
167 2YU 0.9302
168 34A 0.9302
169 JZ1 0.9296
170 5MH 0.9293
171 MBN 0.9291
172 FUL 0.9291
173 HMH 0.9290
174 3DM 0.9289
175 GRE 0.9288
176 2MP 0.9288
177 V1L 0.9287
178 ERH 0.9282
179 SAL 0.9281
180 FCA 0.9280
181 ADZ 0.9275
182 2ZV 0.9274
183 ICC 0.9273
184 9EW 0.9271
185 WOT 0.9271
186 ZZT 0.9270
187 GXE 0.9268
188 TTO 0.9266
189 DIE 0.9262
190 10L 0.9260
191 A2Q 0.9260
192 HMU 0.9259
193 8CL 0.9259
194 LG4 0.9256
195 4JU 0.9255
196 DGY 0.9255
197 NOY 0.9251
198 3AP 0.9251
199 4AP 0.9248
200 82I 0.9246
201 HHN 0.9243
202 3M0 0.9240
203 60P 0.9240
204 3RK 0.9239
205 Y8I 0.9239
206 FE DB1 0.9238
207 GOO 0.9238
208 5AN 0.9237
209 3F0 0.9236
210 2AP 0.9235
211 GUN 0.9235
212 HVK 0.9234
213 3HA 0.9230
214 2A7 0.9229
215 4ZC 0.9228
216 2MH 0.9228
217 PAF 0.9226
218 TCZ 0.9226
219 9DG 0.9225
220 S76 0.9225
221 EQT 0.9222
222 RIB 0.9219
223 DBH 0.9219
224 LGA 0.9218
225 4HS 0.9218
226 JBK 0.9217
227 KYD 0.9213
228 PIH 0.9211
229 XAN 0.9210
230 ISE 0.9209
231 9PO 0.9208
232 6AI 0.9207
233 HRZ 0.9207
234 24B 0.9207
235 282 0.9203
236 PCR 0.9201
237 IFL 0.9200
238 MB3 0.9200
239 MAN 0.9199
240 R8A 0.9198
241 HSL 0.9196
242 0RW 0.9194
243 GBD 0.9194
244 CEJ 0.9191
245 F5B 0.9190
246 PLQ 0.9189
247 B53 0.9188
248 E60 0.9188
249 4XH 0.9188
250 YH7 0.9188
251 HQE 0.9187
252 DEN 0.9187
253 3U4 0.9185
254 7HQ 0.9183
255 GAL 0.9182
256 FPY 0.9182
257 AZA 0.9182
258 1XM 0.9182
259 ASO 0.9180
260 HH8 0.9176
261 25R 0.9175
262 KSW 0.9173
263 24T 0.9171
264 BE2 0.9171
265 141 0.9171
266 C2A 0.9170
267 XXR 0.9170
268 SYN 0.9169
269 HLR 0.9168
270 6M4 0.9168
271 4JN 0.9166
272 PXY 0.9164
273 HYN 0.9163
274 FUF 0.9162
275 SWD 0.9162
276 47J 0.9160
277 DA1 0.9160
278 A2F 0.9159
279 HGW 0.9158
280 FPI 0.9155
281 DFU 0.9154
282 OXQ 0.9153
283 IGA 0.9153
284 BZF 0.9152
285 6M1 0.9151
286 FPN 0.9151
287 4SV 0.9151
288 TLD 0.9149
289 EDG 0.9148
290 BZX 0.9147
291 7EX 0.9145
292 ZZ3 0.9145
293 BOA 0.9145
294 GVH 0.9144
295 BMA 0.9144
296 YHO 0.9143
297 IND 0.9142
298 AMC 0.9139
299 3Z7 0.9138
300 5Q0 0.9137
301 MMZ 0.9136
302 ES6 0.9135
303 1AB 0.9135
304 23W 0.9133
305 XQG 0.9132
306 6AP 0.9132
307 BML 0.9131
308 RNS 0.9130
309 4CH 0.9129
310 5WX 0.9128
311 R2B 0.9126
312 LGC 0.9125
313 MLT 0.9124
314 YSO 0.9123
315 0R1 0.9122
316 1XN 0.9121
317 AZG 0.9121
318 DXX 0.9120
319 HBX 0.9120
320 DMJ 0.9120
321 INS 0.9120
322 280 0.9119
323 DTI 0.9119
324 ES9 0.9118
325 PYF 0.9118
326 BZI 0.9118
327 PY7 0.9117
328 278 0.9117
329 4JP 0.9115
330 275 0.9115
331 1WD 0.9114
332 1NP 0.9114
333 ALO 0.9111
334 5AC 0.9111
335 R8S 0.9110
336 5MB 0.9110
337 EXO 0.9110
338 I3A 0.9109
339 ES1 0.9107
340 5SG 0.9107
341 0CT 0.9105
342 ABN 0.9103
343 IDM 0.9103
344 MZW 0.9103
345 GAG 0.9102
346 6M9 0.9102
347 1LM 0.9100
348 HHA 0.9100
349 MFB 0.9100
350 RM4 0.9100
351 290 0.9093
352 MSN 0.9091
353 RAM 0.9090
354 O72 0.9089
355 AGK 0.9089
356 4XR 0.9088
357 LZ1 0.9088
358 JPZ 0.9088
359 JBH 0.9088
360 BBF 0.9088
361 0CU 0.9086
362 BCF 0.9086
363 1LQ 0.9084
364 MPI 0.9083
365 AUD 0.9081
366 HQY 0.9081
367 4YS 0.9081
368 FCB 0.9080
369 39A 0.9080
370 SJ5 0.9080
371 1DH 0.9077
372 11S 0.9076
373 9TY 0.9074
374 RP7 0.9073
375 5MI 0.9073
376 IOL 0.9071
377 GIF 0.9071
378 25T 0.9071
379 5CL 0.9071
380 GIO 0.9070
381 2K4 0.9070
382 N5J 0.9070
383 DX4 0.9067
384 93B 0.9065
385 SHG 0.9064
386 14O 0.9063
387 3MG 0.9063
388 1SQ 0.9062
389 F60 0.9062
390 2H5 0.9061
391 LZM 0.9061
392 H4N 0.9061
393 5H1 0.9060
394 UEG 0.9060
395 1DW 0.9058
396 LCN 0.9055
397 FK1 0.9054
398 8H8 0.9054
399 6HQ 0.9054
400 L3Q 0.9054
401 5IQ 0.9051
402 IBF 0.9048
403 JKE 0.9047
404 M2H 0.9046
405 J1Z 0.9039
406 BCP 0.9038
407 M1A 0.9033
408 1MR 0.9030
409 ABE 0.9029
410 HFB 0.9029
411 PYJ 0.9026
412 24W 0.9025
413 CFP 0.9023
414 VNJ 0.9019
415 DMG 0.9018
416 45C 0.9018
417 7WV 0.9017
418 L60 0.9014
419 PFB 0.9014
420 150 0.9012
421 SOE 0.9011
422 8NY 0.9011
423 G5V 0.9010
424 42A 0.9009
425 APY 0.9009
426 DQN 0.9008
427 67N 0.9008
428 SER 0.9005
429 1WG 0.9004
430 HBA 0.9004
431 HY3 0.9004
432 4AX 0.9001
433 NMJ 0.9000
434 MNM 0.8994
435 PXL 0.8993
436 4PW 0.8990
437 DMI 0.8989
438 XIX 0.8987
439 XQ0 0.8986
440 ZWZ 0.8985
441 KIA 0.8979
442 KIB 0.8979
443 H76 0.8979
444 6GU 0.8977
445 261 0.8976
446 B24 0.8974
447 2CQ 0.8973
448 KPL 0.8971
449 JBQ 0.8969
450 JZ9 0.8966
451 PXM 0.8965
452 F4Z 0.8965
453 NPY 0.8963
454 3WA 0.8961
455 7VJ 0.8960
456 HH5 0.8959
457 PHB 0.8959
458 12M 0.8957
459 QUZ 0.8957
460 5NU 0.8957
461 NSP 0.8956
462 F3B 0.8955
463 IJZ 0.8951
464 8GC 0.8951
465 Q88 0.8944
466 5RG 0.8943
467 6KX 0.8940
468 2KT 0.8940
469 GLA 0.8939
470 MLA 0.8938
471 JBE 0.8937
472 3SK 0.8935
473 ARW 0.8934
474 4VP 0.8933
475 HIU 0.8932
476 4CS 0.8931
477 KOJ 0.8930
478 9CL 0.8921
479 B57 0.8921
480 IP0 0.8918
481 HXX 0.8917
482 2XX 0.8916
483 FP1 0.8915
484 GAB 0.8911
485 FLA 0.8911
486 Q6T 0.8907
487 TC7 0.8906
488 3IT 0.8903
489 RM1 0.8902
490 MLI 0.8902
491 JAE 0.8900
492 PCI 0.8899
493 TFU 0.8899
494 270 0.8892
495 BHA 0.8891
496 LYL 0.8889
497 BEZ 0.8889
498 TH7 0.8888
499 5M0 0.8886
500 NBE 0.8886
501 KJY 0.8885
502 DOB 0.8885
503 4AA 0.8882
504 5CU 0.8881
505 HJP 0.8881
506 UNC 0.8881
507 CYS 0.8880
508 4M0 0.8878
509 FA0 0.8878
510 GIV 0.8877
511 BDF 0.8872
512 54G 0.8871
513 6CS 0.8871
514 MFU 0.8870
515 KG7 0.8870
516 CWM 0.8870
517 5MK 0.8869
518 O7U 0.8867
519 7NI 0.8867
520 2CK 0.8865
521 YCP 0.8864
522 4HM 0.8863
523 NCA 0.8862
524 THR 0.8861
525 42C 0.8861
526 GTQ 0.8861
527 ES0 0.8860
528 LDU 0.8854
529 AX7 0.8854
530 9X7 0.8854
531 DTU 0.8853
532 FDB 0.8853
533 GXL 0.8852
534 MMA 0.8851
535 Z6J 0.8848
536 AKH 0.8847
537 FOT 0.8847
538 7W4 0.8846
539 M1E 0.8846
540 DSN 0.8846
541 FUB 0.8842
542 OVV 0.8841
543 F0J 0.8840
544 BEN 0.8838
545 2D0 0.8836
546 SX1 0.8835
547 ISN 0.8835
548 1GN 0.8835
549 ABV 0.8834
550 NBZ 0.8834
551 53C 0.8833
552 MZB 0.8832
553 3HB 0.8831
554 MRY 0.8829
555 X6X 0.8829
556 GCU 0.8827
557 GYE 0.8827
558 LER 0.8826
559 DGJ 0.8820
560 4JM 0.8819
561 P2D 0.8818
562 3NT 0.8812
563 1P3 0.8811
564 C5J 0.8811
565 2MI 0.8811
566 7VS 0.8809
567 FOA 0.8808
568 4JL 0.8808
569 M1H 0.8805
570 G4D 0.8804
571 DBJ 0.8803
572 V55 0.8802
573 HX3 0.8801
574 I1N 0.8801
575 HLZ 0.8800
576 KBG 0.8800
577 PE0 0.8799
578 9MG 0.8798
579 H8N 0.8794
580 PA1 0.8793
581 B55 0.8793
582 DAB 0.8793
583 2LP 0.8793
584 KKN 0.8789
585 GAF 0.8789
586 2FG 0.8788
587 JZ4 0.8786
588 495 0.8785
589 CRN 0.8785
590 1LN 0.8785
591 94B 0.8783
592 5HN 0.8780
593 HZQ 0.8780
594 3AB 0.8780
595 3PY 0.8779
596 6PC 0.8779
597 PYC 0.8775
598 BP9 0.8775
599 BAM 0.8773
600 5OB 0.8773
601 WCE 0.8771
602 KT7 0.8771
603 MBG 0.8771
604 BSX 0.8770
605 LMR 0.8769
606 IPZ 0.8769
607 DTL 0.8768
608 9TZ 0.8767
609 BRT 0.8765
610 P92 0.8764
611 PZA 0.8764
612 ITN 0.8763
613 LKA 0.8762
614 5WV 0.8761
615 MT0 0.8760
616 FAN 0.8759
617 PRO 0.8759
618 DIU 0.8756
619 3DO 0.8755
620 AZ8 0.8754
621 1P7 0.8754
622 3BZ 0.8753
623 FPK 0.8752
624 948 0.8752
625 C2U 0.8752
626 BZ3 0.8748
627 IT2 0.8747
628 OXC 0.8746
629 8IG 0.8743
630 2EC 0.8743
631 NIO 0.8742
632 QWN 0.8741
633 ES7 0.8740
634 QSC 0.8740
635 149 0.8739
636 URQ 0.8739
637 EUG 0.8737
638 GLF 0.8736
639 TAR 0.8736
640 VGL 0.8733
641 URC 0.8732
642 HSE 0.8730
643 ORO 0.8730
644 5B1 0.8729
645 A7W 0.8729
646 MEW 0.8728
647 NVI 0.8728
648 ALL 0.8727
649 265 0.8727
650 BTY 0.8727
651 PBR 0.8726
652 Q24 0.8725
653 WOO 0.8725
654 FBA 0.8725
655 IF7 0.8723
656 KP6 0.8722
657 2A9 0.8722
658 II6 0.8722
659 12B 0.8721
660 BDP 0.8720
661 BNZ 0.8717
662 32O 0.8717
663 AQO 0.8715
664 4FS 0.8712
665 B20 0.8711
666 OHG 0.8711
667 2PC 0.8710
668 2AQ 0.8710
669 RB5 0.8707
670 03V 0.8707
671 TEP 0.8706
672 COU 0.8706
673 M5K 0.8705
674 1U6 0.8704
675 QBK 0.8703
676 8TX 0.8703
677 ES5 0.8702
678 3OC 0.8702
679 DOR 0.8702
680 AMT 0.8701
681 75K 0.8700
682 32X 0.8700
683 5JL 0.8699
684 H42 0.8699
685 4M4 0.8698
686 MRW 0.8696
687 0PY 0.8695
688 DRL 0.8693
689 UNU 0.8692
690 DHQ 0.8692
691 M0W 0.8692
692 IPB 0.8690
693 3MT 0.8689
694 ASP 0.8688
695 FDK 0.8687
696 XUL 0.8686
697 FH2 0.8686
698 TP5 0.8686
699 NTN 0.8686
700 A65 0.8683
701 6LW 0.8683
702 DMD 0.8682
703 3ID 0.8680
704 FBT 0.8680
705 TZE 0.8678
706 QXW 0.8678
707 PYQ 0.8675
708 M0Q 0.8673
709 5JQ 0.8667
710 SFU 0.8667
711 BHO 0.8665
712 AFR 0.8664
713 MO8 0.8663
714 RUU 0.8662
715 HIO 0.8662
716 SS2 0.8662
717 34D 0.8660
718 PRY 0.8660
719 NDM 0.8656
720 4HC 0.8656
721 TLA 0.8656
722 EV0 0.8655
723 OCH 0.8654
724 CGB 0.8651
725 3FH 0.8649
726 TZC 0.8647
727 RPQ 0.8645
728 PBC 0.8644
729 5VM 0.8641
730 GLT 0.8640
731 CN0 0.8639
732 NTM 0.8637
733 ABA 0.8636
734 D1X 0.8635
735 PAV 0.8634
736 AC0 0.8634
737 AJ2 0.8633
738 MR1 0.8632
739 14J 0.8631
740 37T 0.8629
741 M1Q 0.8628
742 AW5 0.8628
743 0P6 0.8627
744 BVC 0.8627
745 CIZ 0.8625
746 LRH 0.8624
747 HUI 0.8622
748 PHZ 0.8621
749 VGD 0.8621
750 NPO 0.8619
751 36R 0.8615
752 680 0.8610
753 LSA 0.8609
754 EA1 0.8609
755 7W1 0.8608
756 DCY 0.8607
757 HQT 0.8607
758 5QX 0.8605
759 C21 0.8603
760 JB5 0.8602
761 1P8 0.8602
762 12Q 0.8601
763 PQ0 0.8600
764 F9Y 0.8599
765 5WY 0.8592
766 JUG 0.8587
767 KJH 0.8586
768 DIN 0.8583
769 KLW 0.8583
770 ET2 0.8582
771 PHT 0.8580
772 OAA 0.8579
773 XAZ 0.8573
774 IV2 0.8572
775 YIO 0.8570
776 CWS 0.8568
777 ES2 0.8568
778 PBE 0.8568
779 SMV 0.8567
780 D3M 0.8565
781 QX2 0.8564
782 QWW 0.8562
783 JAB 0.8560
784 AAE 0.8560
785 D07 0.8556
786 GOG 0.8549
787 NQ 0.8544
788 G1O 0.8536
789 KUF 0.8535
790 K17 0.8509
Ligand no: 2; Ligand: 6PL; Similar ligands found: 0
No: Ligand Similarity coefficient
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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