Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
45C A:1;
 Valid;
 none;
 Ki = 0.02 uM
179.001 C6 H4 Cl2 O2 c1c(c...
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...
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: 45C; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 45C 1 1
2 TC7 0.571429 0.809524
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: 45C; Similar ligands found: 912
No: Ligand Similarity coefficient
1 2CQ 0.9986
2 F4Z 0.9975
3 150 0.9939
4 1WG 0.9888
5 25W 0.9768
6 G6D 0.9757
7 43M 0.9683
8 QWN 0.9645
9 TH0 0.9636
10 MCT 0.9627
11 TLD 0.9618
12 4JO 0.9617
13 MWM 0.9617
14 HT4 0.9596
15 7CZ 0.9594
16 4ZE 0.9585
17 5UC 0.9582
18 MZG 0.9580
19 4HO 0.9578
20 2YU 0.9576
21 34A 0.9575
22 275 0.9572
23 5MH 0.9570
24 URF 0.9566
25 PYD 0.9564
26 ICP 0.9564
27 XBZ 0.9564
28 TM7 0.9562
29 TDR 0.9557
30 2MP 0.9557
31 XXR 0.9555
32 JZ2 0.9554
33 2AC 0.9552
34 4CL 0.9551
35 BGC 0.9551
36 5JC 0.9550
37 QOS 0.9547
38 IUR 0.9547
39 F5B 0.9545
40 XYD 0.9544
41 27Y 0.9541
42 BR9 0.9539
43 3ZQ 0.9537
44 MWJ 0.9534
45 QXW 0.9532
46 0TR 0.9529
47 1PT 0.9522
48 A1U 0.9521
49 4JJ 0.9515
50 WBU 0.9509
51 1MC 0.9507
52 GLC 0.9505
53 6M9 0.9500
54 EXO 0.9495
55 8S0 0.9488
56 SVN 0.9485
57 0RW 0.9478
58 3DO 0.9476
59 G3F 0.9471
60 DMD 0.9470
61 5CL 0.9468
62 Y8I 0.9468
63 1DW 0.9467
64 RAM 0.9463
65 4ZC 0.9454
66 IDH 0.9452
67 IT2 0.9448
68 3Z7 0.9442
69 OXE 0.9432
70 8H8 0.9422
71 BEZ 0.9420
72 ISN 0.9420
73 F05 0.9420
74 HMH 0.9417
75 RSF 0.9417
76 NBZ 0.9416
77 BZX 0.9413
78 7W4 0.9410
79 KJY 0.9409
80 9EW 0.9409
81 KKN 0.9408
82 6M4 0.9408
83 ADZ 0.9407
84 YAN 0.9405
85 3ID 0.9405
86 GAL 0.9402
87 YCP 0.9400
88 6AI 0.9395
89 FYU 0.9395
90 BEN 0.9394
91 GXY 0.9391
92 1P7 0.9388
93 TH7 0.9387
94 NSP 0.9384
95 7B4 0.9379
96 ISE 0.9378
97 NK 0.9376
98 QUZ 0.9373
99 HLR 0.9371
100 6PC 0.9371
101 AHR 0.9367
102 40O 0.9364
103 BEW 0.9362
104 XYP 0.9362
105 M58 0.9361
106 ES7 0.9358
107 NPY 0.9358
108 GCS 0.9357
109 ES9 0.9353
110 5WV 0.9351
111 2CH 0.9348
112 BAM 0.9348
113 DEN 0.9347
114 24B 0.9346
115 H4N 0.9346
116 ZZT 0.9344
117 HTS 0.9343
118 CAQ 0.9343
119 5MB 0.9340
120 5B1 0.9338
121 NCA 0.9332
122 INS 0.9329
123 11S 0.9329
124 4XR 0.9327
125 FK1 0.9324
126 ALL 0.9322
127 JZ3 0.9320
128 5MI 0.9318
129 0CT 0.9318
130 0R0 0.9317
131 PBC 0.9317
132 LXC 0.9315
133 SAL 0.9312
134 F60 0.9310
135 IND 0.9310
136 SS1 0.9306
137 6X8 0.9304
138 1AN 0.9303
139 2AF 0.9301
140 GYE 0.9300
141 BZI 0.9299
142 4JP 0.9297
143 BTE 0.9297
144 93Q 0.9295
145 L89 0.9294
146 5H1 0.9293
147 FP2 0.9293
148 BZF 0.9293
149 32X 0.9293
150 14O 0.9292
151 938 0.9290
152 JAE 0.9287
153 NIO 0.9286
154 2K4 0.9285
155 76X 0.9278
156 92Z 0.9273
157 0R1 0.9271
158 GVH 0.9270
159 8LG 0.9268
160 MPI 0.9266
161 G3E 0.9265
162 5Q0 0.9263
163 ADE 0.9263
164 3PF 0.9262
165 24W 0.9260
166 HPA 0.9259
167 HMU 0.9259
168 FUL 0.9259
169 BHO 0.9258
170 1NP 0.9257
171 PZA 0.9256
172 6MP 0.9256
173 JBK 0.9255
174 UNU 0.9255
175 FPY 0.9255
176 IDM 0.9254
177 3HA 0.9251
178 QSC 0.9250
179 8GC 0.9249
180 ES4 0.9247
181 HX3 0.9247
182 4XH 0.9244
183 BP1 0.9241
184 3U4 0.9238
185 B53 0.9238
186 HH8 0.9237
187 9DA 0.9236
188 HQY 0.9235
189 7HP 0.9235
190 T6C 0.9234
191 3M0 0.9232
192 7WA 0.9232
193 LZ1 0.9232
194 NTN 0.9230
195 VGL 0.9230
196 DBH 0.9229
197 FE DB1 0.9227
198 10L 0.9226
199 1LM 0.9225
200 ES1 0.9224
201 1SQ 0.9224
202 1LQ 0.9223
203 RM1 0.9222
204 5IQ 0.9221
205 8NY 0.9220
206 2CK 0.9220
207 5SG 0.9219
208 3F0 0.9217
209 WOO 0.9217
210 286 0.9215
211 JBE 0.9214
212 9HX 0.9213
213 KOJ 0.9210
214 PM6 0.9210
215 ABE 0.9210
216 I3A 0.9209
217 XQ0 0.9208
218 AC0 0.9208
219 GBD 0.9207
220 O72 0.9207
221 LGC 0.9207
222 BE7 0.9206
223 4SV 0.9205
224 COU 0.9205
225 BE2 0.9204
226 JPZ 0.9204
227 I1N 0.9204
228 FUC 0.9202
229 CRS 0.9200
230 JBH 0.9200
231 DHQ 0.9199
232 4YS 0.9197
233 JFD 0.9196
234 NEQ 0.9196
235 JB5 0.9194
236 7HQ 0.9194
237 FCA 0.9190
238 ES6 0.9186
239 XYS 0.9185
240 JZ0 0.9184
241 42A 0.9184
242 BBF 0.9182
243 N5J 0.9179
244 0MK 0.9178
245 M1A 0.9176
246 0P6 0.9176
247 9MG 0.9175
248 RIP 0.9175
249 NMJ 0.9175
250 TP5 0.9174
251 35C 0.9174
252 4Z4 0.9173
253 1U6 0.9173
254 J1Z 0.9172
255 OXQ 0.9172
256 BOA 0.9172
257 RCO 0.9172
258 4CS 0.9171
259 JIF 0.9170
260 URA 0.9170
261 1XN 0.9169
262 E7Z 0.9169
263 LZM 0.9168
264 DFU 0.9168
265 0W8 0.9167
266 Q88 0.9167
267 7MH 0.9165
268 JXN 0.9164
269 AZA 0.9163
270 BCF 0.9162
271 5RG 0.9161
272 XAN 0.9161
273 3XX 0.9161
274 IBF 0.9161
275 JZ9 0.9160
276 SE2 0.9160
277 LT2 0.9158
278 FOA 0.9157
279 PCI 0.9156
280 2AQ 0.9156
281 OCH 0.9154
282 5QY 0.9152
283 SWD 0.9151
284 ES5 0.9150
285 BCP 0.9150
286 53C 0.9150
287 1XM 0.9149
288 V55 0.9148
289 GOO 0.9148
290 DQN 0.9147
291 AJV 0.9147
292 YH7 0.9146
293 D48 0.9146
294 QX2 0.9145
295 BMA 0.9143
296 03V 0.9143
297 7VJ 0.9142
298 GTQ 0.9142
299 QWW 0.9141
300 GAG 0.9140
301 PYC 0.9139
302 J5I 0.9138
303 LG3 0.9137
304 GUN 0.9136
305 CYT 0.9136
306 KBG 0.9136
307 HFB 0.9135
308 9DG 0.9135
309 3NT 0.9130
310 4FS 0.9130
311 KUF 0.9129
312 26D 0.9129
313 1WD 0.9127
314 1XX 0.9127
315 4M4 0.9127
316 BVF 0.9126
317 LG5 0.9124
318 H42 0.9122
319 PXM 0.9122
320 6AP 0.9121
321 SHG 0.9121
322 HGQ 0.9119
323 CIG 0.9119
324 2PC 0.9118
325 EQT 0.9117
326 284 0.9117
327 290 0.9114
328 HEW 0.9114
329 2EC 0.9114
330 IGA 0.9113
331 F3B 0.9109
332 2D0 0.9109
333 CWS 0.9109
334 3CH 0.9106
335 A2F 0.9105
336 JAB 0.9104
337 JKE 0.9103
338 4NC 0.9101
339 OAA 0.9101
340 JZ1 0.9100
341 141 0.9100
342 XBT 0.9100
343 2HQ 0.9099
344 86J 0.9099
345 0CU 0.9098
346 B3R 0.9098
347 M3T 0.9098
348 XQG 0.9092
349 TZC 0.9091
350 8GF 0.9090
351 AZG 0.9088
352 6F0 0.9088
353 GAB 0.9088
354 GRE 0.9087
355 4H2 0.9087
356 OVV 0.9086
357 5HN 0.9085
358 CFP 0.9083
359 23A 0.9081
360 HHQ 0.9081
361 5M0 0.9080
362 L3Q 0.9077
363 PRO 0.9076
364 HY3 0.9076
365 3HB 0.9075
366 CWM 0.9074
367 PCR 0.9074
368 8CM 0.9073
369 2ZV 0.9072
370 SOE 0.9071
371 6CS 0.9071
372 F0J 0.9071
373 ABV 0.9070
374 7WV 0.9068
375 5XC 0.9060
376 3AB 0.9058
377 54G 0.9057
378 MEW 0.9054
379 67N 0.9054
380 WCE 0.9054
381 DX4 0.9054
382 BRT 0.9052
383 25R 0.9051
384 PXL 0.9051
385 BZ3 0.9051
386 PE0 0.9050
387 UEG 0.9049
388 TBP 0.9047
389 3BZ 0.9044
390 PYG 0.9044
391 LKA 0.9044
392 DUC 0.9044
393 PFB 0.9043
394 DGJ 0.9043
395 60P 0.9043
396 5WX 0.9041
397 273 0.9038
398 HH5 0.9037
399 ES0 0.9037
400 AZ8 0.9036
401 FDB 0.9032
402 HHA 0.9031
403 ARB 0.9030
404 6HQ 0.9029
405 SX1 0.9026
406 Q24 0.9025
407 MBD 0.9025
408 FA0 0.9024
409 MR1 0.9020
410 4HC 0.9020
411 285 0.9019
412 5MK 0.9018
413 3CE 0.9018
414 M5K 0.9015
415 UNC 0.9015
416 SYN 0.9013
417 MUA 0.9013
418 5OB 0.9013
419 YTB 0.9011
420 82I 0.9010
421 NOJ 0.9009
422 AQO 0.9004
423 3FA 0.9004
424 9TZ 0.9002
425 PBR 0.9002
426 6MH 0.9001
427 TMZ 0.9001
428 3MH 0.9000
429 265 0.9000
430 14J 0.8998
431 HQE 0.8997
432 AJ2 0.8997
433 R8A 0.8996
434 3MC 0.8995
435 ISZ 0.8995
436 3Z8 0.8994
437 RM4 0.8994
438 2C9 0.8993
439 4CH 0.8990
440 NIZ 0.8990
441 4XX 0.8990
442 3WA 0.8989
443 RNS 0.8988
444 XM0 0.8985
445 KT7 0.8985
446 B60 0.8982
447 RIB 0.8981
448 BML 0.8980
449 FPN 0.8980
450 4JN 0.8980
451 DRL 0.8979
452 282 0.8979
453 7VS 0.8977
454 MWP 0.8976
455 EUG 0.8974
456 FLM 0.8971
457 3RK 0.8970
458 2MY 0.8970
459 M0Q 0.8968
460 GMN 0.8966
461 C2U 0.8966
462 64K 0.8965
463 4JT 0.8962
464 FFP 0.8961
465 2A9 0.8960
466 DA1 0.8960
467 PXY 0.8960
468 LG4 0.8959
469 P9P 0.8959
470 JBQ 0.8957
471 2CM 0.8956
472 270 0.8956
473 MFB 0.8955
474 MNM 0.8955
475 NPO 0.8953
476 6M1 0.8951
477 FBB 0.8951
478 2AK 0.8951
479 F81 0.8951
480 PLQ 0.8950
481 IOL 0.8950
482 HPY 0.8950
483 M1Q 0.8950
484 AX7 0.8949
485 3IT 0.8949
486 3SK 0.8948
487 FUF 0.8947
488 D07 0.8946
489 DIU 0.8945
490 J9W 0.8943
491 5NU 0.8942
492 C21 0.8942
493 DUB 0.8942
494 HLZ 0.8942
495 ABN 0.8941
496 4A3 0.8939
497 1P3 0.8939
498 0JD 0.8939
499 QBK 0.8937
500 ARA 0.8935
501 2HO 0.8935
502 HQD 0.8934
503 4AA 0.8933
504 93K 0.8931
505 MAQ 0.8931
506 IFL 0.8930
507 M6N 0.8930
508 DHB 0.8929
509 ZBT 0.8928
510 FCB 0.8926
511 HIS 0.8925
512 MYJ 0.8923
513 3HM 0.8923
514 JBN 0.8923
515 OXC 0.8922
516 4HM 0.8921
517 R8V 0.8921
518 ASO 0.8920
519 VNJ 0.8920
520 K2T 0.8919
521 SYV 0.8918
522 INO 0.8918
523 SMV 0.8917
524 G4D 0.8917
525 G2F 0.8917
526 ADK 0.8917
527 P92 0.8915
528 KIV 0.8914
529 2MI 0.8913
530 FQI 0.8912
531 DBJ 0.8911
532 9TW 0.8910
533 DOB 0.8910
534 BHA 0.8910
535 CFI 0.8910
536 M1H 0.8910
537 AZ9 0.8906
538 95Z 0.8904
539 MSN 0.8902
540 YIO 0.8901
541 2MH 0.8900
542 4M0 0.8899
543 36R 0.8899
544 R8S 0.8898
545 A7W 0.8898
546 6GU 0.8895
547 MRW 0.8895
548 XX2 0.8894
549 FOT 0.8893
550 TMT 0.8893
551 TM4 0.8891
552 IJZ 0.8891
553 CHB 0.8891
554 XYL 0.8890
555 261 0.8890
556 DFB 0.8890
557 MAN 0.8889
558 12M 0.8887
559 ORO 0.8886
560 FHB 0.8885
561 3MA 0.8885
562 B62 0.8884
563 5VM 0.8882
564 H3M 0.8882
565 GLA 0.8881
566 12Q 0.8881
567 J9T 0.8881
568 260 0.8880
569 39A 0.8880
570 NOY 0.8880
571 NNO 0.8878
572 MO8 0.8876
573 VGD 0.8875
574 NDM 0.8875
575 DIN 0.8874
576 BSX 0.8871
577 FP1 0.8870
578 QSB 0.8870
579 FPK 0.8870
580 JXW 0.8869
581 IPB 0.8869
582 PHB 0.8866
583 6RQ 0.8865
584 FAN 0.8864
585 1P8 0.8864
586 M0W 0.8863
587 4JQ 0.8863
588 MLT 0.8863
589 ZWZ 0.8863
590 AW5 0.8863
591 7W1 0.8861
592 F31 0.8860
593 HJP 0.8860
594 TBS 0.8860
595 HBA 0.8860
596 G5V 0.8859
597 URC 0.8859
598 KYD 0.8858
599 IHB 0.8857
600 JUG 0.8856
601 KJH 0.8856
602 CLW 0.8856
603 F9Y 0.8855
604 MAK 0.8854
605 EA1 0.8853
606 YHO 0.8853
607 PY7 0.8850
608 SKA 0.8846
609 23W 0.8845
610 149 0.8841
611 H8N 0.8840
612 3OC 0.8838
613 2ZX 0.8838
614 HXX 0.8838
615 0FO 0.8836
616 ET2 0.8836
617 TEP 0.8835
618 KG7 0.8835
619 JLZ 0.8833
620 CTS 0.8833
621 5QX 0.8833
622 KJU 0.8830
623 2DR 0.8829
624 LDP 0.8827
625 8ZE 0.8827
626 HQT 0.8826
627 GZL 0.8823
628 MQN 0.8822
629 BTY 0.8822
630 XHP 0.8821
631 5RN 0.8821
632 HBX 0.8820
633 4VP 0.8820
634 2LP 0.8820
635 IFM 0.8819
636 IV2 0.8818
637 G1O 0.8818
638 4YO 0.8818
639 K17 0.8818
640 VNL 0.8816
641 75K 0.8815
642 8OZ 0.8814
643 BR8 0.8813
644 FBV 0.8812
645 94N 0.8812
646 TTL 0.8811
647 5CU 0.8810
648 8WT 0.8808
649 6UA 0.8807
650 MZB 0.8806
651 DIE 0.8806
652 0TU 0.8806
653 HBD 0.8805
654 2FG 0.8805
655 6LW 0.8805
656 XAZ 0.8804
657 B55 0.8803
658 Z82 0.8803
659 5JQ 0.8803
660 B57 0.8802
661 TFU 0.8802
662 FBM 0.8800
663 13X 0.8800
664 IF7 0.8800
665 DTL 0.8798
666 WDL 0.8797
667 2BG 0.8796
668 FSW 0.8794
669 3AY 0.8793
670 173 0.8790
671 X05 0.8790
672 4HS 0.8790
673 ES2 0.8790
674 ASC 0.8790
675 7MU 0.8788
676 PBZ 0.8788
677 EVA 0.8788
678 2XX 0.8787
679 CYS 0.8786
680 AX2 0.8786
681 5ZE 0.8785
682 M1E 0.8784
683 H76 0.8784
684 DBX 0.8782
685 0N7 0.8781
686 8IG 0.8781
687 826 0.8779
688 GOX 0.8779
689 PYQ 0.8776
690 ECE 0.8776
691 IP0 0.8776
692 FRU 0.8776
693 P3K 0.8775
694 PYF 0.8771
695 3DM 0.8770
696 42C 0.8770
697 GCB 0.8770
698 LMR 0.8767
699 1Y6 0.8765
700 OXZ 0.8764
701 AZF 0.8764
702 SWA 0.8763
703 K5W 0.8761
704 AC6 0.8760
705 PAB 0.8760
706 X09 0.8760
707 K8X 0.8760
708 C2A 0.8759
709 CTL 0.8757
710 44W 0.8756
711 ICO 0.8756
712 CFF 0.8756
713 OTW 0.8755
714 5JL 0.8754
715 4MA 0.8753
716 1DU 0.8753
717 BDP 0.8750
718 1MR 0.8750
719 URP 0.8747
720 174 0.8746
721 DQU 0.8746
722 QX4 0.8744
723 HZQ 0.8744
724 MXN 0.8743
725 MT0 0.8743
726 8TX 0.8742
727 PRY 0.8740
728 4JM 0.8740
729 PRF 0.8738
730 JND 0.8737
731 2KT 0.8737
732 DOR 0.8736
733 JA8 0.8735
734 GIO 0.8734
735 12B 0.8733
736 GLT 0.8733
737 PHH 0.8730
738 5GU 0.8729
739 PCA 0.8728
740 ERH 0.8726
741 PKU 0.8726
742 EYK 0.8723
743 280 0.8723
744 5RO 0.8722
745 DMJ 0.8722
746 Q6T 0.8722
747 N2I 0.8722
748 SHA 0.8721
749 2H5 0.8720
750 LCN 0.8720
751 R2B 0.8720
752 F9P 0.8719
753 FPI 0.8712
754 44V 0.8711
755 TFB 0.8711
756 51R 0.8710
757 LRH 0.8710
758 GIF 0.8708
759 8WO 0.8708
760 XUL 0.8707
761 LSA 0.8706
762 MRZ 0.8706
763 JYB 0.8704
764 PQ0 0.8704
765 MVN 0.8700
766 EKZ 0.8700
767 GAF 0.8700
768 MB3 0.8698
769 495 0.8697
770 6ME 0.8696
771 YSO 0.8693
772 UAN 0.8692
773 1KP 0.8691
774 PA1 0.8690
775 717 0.8690
776 N8Y 0.8688
777 15E 0.8688
778 NDH 0.8688
779 069 0.8686
780 4MU 0.8686
781 680 0.8685
782 SXS 0.8685
783 HIU 0.8685
784 PAF 0.8683
785 LNR 0.8682
786 ICC 0.8682
787 AGK 0.8682
788 7NI 0.8681
789 SOR 0.8680
790 4P5 0.8680
791 SRT 0.8677
792 DTI 0.8675
793 6KX 0.8675
794 GXL 0.8674
795 OK7 0.8674
796 TSS 0.8672
797 3SL 0.8672
798 DYA 0.8671
799 1DV 0.8670
800 3MB 0.8669
801 TCZ 0.8668
802 ZVO 0.8668
803 GCU 0.8668
804 MLI 0.8668
805 VOH 0.8667
806 JZ4 0.8665
807 TGX 0.8660
808 CGB 0.8660
809 GXE 0.8660
810 IPH 0.8660
811 FBW 0.8659
812 PZI 0.8658
813 FB2 0.8657
814 ASN 0.8655
815 948 0.8655
816 MFU 0.8655
817 MBN 0.8654
818 3FH 0.8652
819 47J 0.8651
820 7B3 0.8646
821 4PW 0.8644
822 MBG 0.8643
823 X6X 0.8643
824 4JL 0.8640
825 C2B 0.8640
826 5AN 0.8640
827 KP6 0.8635
828 A65 0.8634
829 6VD 0.8632
830 XCZ 0.8631
831 8CL 0.8630
832 MMZ 0.8630
833 SFU 0.8630
834 S76 0.8630
835 NTM 0.8629
836 OVM 0.8629
837 RMN 0.8628
838 PHT 0.8628
839 TOF 0.8628
840 HVK 0.8626
841 E60 0.8623
842 INE 0.8623
843 C5J 0.8623
844 5WY 0.8621
845 AKH 0.8620
846 Z6J 0.8617
847 3R6 0.8617
848 HIO 0.8615
849 3AP 0.8615
850 2A7 0.8614
851 FBT 0.8613
852 9PO 0.8613
853 P72 0.8611
854 GIV 0.8611
855 KDV 0.8609
856 KIB 0.8607
857 OW4 0.8607
858 OVP 0.8607
859 2ZQ 0.8607
860 KLW 0.8606
861 OHG 0.8606
862 2AP 0.8600
863 9KT 0.8600
864 A2Q 0.8599
865 FDK 0.8595
866 RHU 0.8594
867 URQ 0.8592
868 9FL 0.8592
869 MS9 0.8591
870 92K 0.8589
871 1LN 0.8587
872 CYH 0.8587
873 O7U 0.8585
874 DHK 0.8583
875 24T 0.8583
876 RB5 0.8581
877 HRZ 0.8580
878 7ZE 0.8576
879 1AB 0.8574
880 NID 0.8572
881 GM7 0.8572
882 SVD 0.8571
883 LGA 0.8570
884 KPL 0.8570
885 4AP 0.8569
886 37T 0.8569
887 IFP 0.8568
888 UQ 0.8568
889 1GN 0.8566
890 M2H 0.8565
891 ZZ3 0.8561
892 GJS 0.8561
893 RPQ 0.8561
894 APY 0.8560
895 HAI 0.8560
896 VK3 0.8559
897 A13 0.8558
898 APZ 0.8556
899 UY7 0.8554
900 WOT 0.8553
901 329 0.8553
902 TLA 0.8552
903 3PY 0.8551
904 ABA 0.8550
905 K6X 0.8546
906 NQ 0.8542
907 PYJ 0.8540
908 BEA 0.8540
909 GCW 0.8540
910 DMI 0.8539
911 FH2 0.8536
912 FUB 0.8534
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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