Receptor
PDB id Resolution Class Description Source Keywords
3hjs 1.8 Å EC: 1.13.11.1 CRYSTAL STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM RHODOCOCC 1CP IN COMPLEX WITH 4-METHYLCATECHOL 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
6PL A:284;
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...
MCT A:283;
Valid;
none;
Ki = 4 uM
124.137 C7 H8 O2 Cc1cc...
MG A:282;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
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: MCT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 MCT 1 1
2 N0D 0.518519 0.736842
3 2AC 0.482759 0.615385
4 HT4 0.482759 0.727273
5 IPB 0.4375 0.7
6 54G 0.424242 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: 6PL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: MCT; Similar ligands found: 1125
No: Ligand Similarity coefficient
1 XYD 1.0000
2 XBZ 1.0000
3 4ZE 1.0000
4 A1U 1.0000
5 QOS 1.0000
6 ICP 1.0000
7 PYD 1.0000
8 4CL 1.0000
9 MWM 1.0000
10 URF 1.0000
11 WBU 1.0000
12 1MC 1.0000
13 TDR 1.0000
14 4HO 1.0000
15 4JJ 1.0000
16 MZG 1.0000
17 2YU 1.0000
18 34A 0.9999
19 MWJ 0.9997
20 TH0 0.9997
21 2MP 0.9995
22 JZ2 0.9993
23 BR9 0.9983
24 5JC 0.9975
25 5MH 0.9970
26 TM7 0.9968
27 27Y 0.9966
28 43M 0.9963
29 5UC 0.9961
30 XYP 0.9920
31 LXC 0.9910
32 4JO 0.9907
33 Y8I 0.9890
34 TLD 0.9874
35 IUR 0.9844
36 AHR 0.9833
37 3ZQ 0.9833
38 4XR 0.9812
39 2MH 0.9780
40 RCO 0.9768
41 1PT 0.9763
42 4JU 0.9758
43 40O 0.9753
44 3Z7 0.9748
45 CRS 0.9744
46 FPY 0.9742
47 284 0.9740
48 3CH 0.9732
49 LG3 0.9731
50 URA 0.9730
51 LG5 0.9718
52 CAQ 0.9717
53 26D 0.9715
54 XYS 0.9715
55 CYT 0.9706
56 BZX 0.9704
57 1WG 0.9699
58 NK 0.9697
59 OXE 0.9693
60 RIP 0.9691
61 FYU 0.9688
62 ZZT 0.9688
63 6AI 0.9681
64 150 0.9680
65 HQE 0.9679
66 BVF 0.9670
67 GVH 0.9670
68 2CQ 0.9661
69 FPN 0.9661
70 0TR 0.9660
71 HMH 0.9658
72 IDH 0.9654
73 8GF 0.9652
74 0R1 0.9651
75 L89 0.9650
76 DEN 0.9648
77 BZF 0.9646
78 0MK 0.9645
79 9DA 0.9644
80 CIG 0.9643
81 PLQ 0.9642
82 1AN 0.9642
83 PCR 0.9642
84 JZ0 0.9641
85 FP2 0.9641
86 PXY 0.9640
87 FUC 0.9640
88 ADE 0.9639
89 2AF 0.9638
90 92Z 0.9638
91 76X 0.9638
92 IND 0.9637
93 25R 0.9635
94 FUL 0.9635
95 DA1 0.9634
96 24B 0.9633
97 HPA 0.9630
98 RSF 0.9630
99 45C 0.9627
100 LZ1 0.9627
101 BZI 0.9627
102 NSP 0.9627
103 8LG 0.9626
104 6MP 0.9625
105 LG4 0.9623
106 10L 0.9623
107 93Q 0.9618
108 4HS 0.9616
109 4ZC 0.9613
110 14O 0.9611
111 M3T 0.9610
112 2CH 0.9609
113 4H2 0.9607
114 7CZ 0.9607
115 5MB 0.9607
116 B3R 0.9607
117 0CT 0.9604
118 HEW 0.9603
119 KOJ 0.9602
120 7HP 0.9601
121 BEW 0.9597
122 9HX 0.9597
123 5MI 0.9597
124 G6D 0.9597
125 MPI 0.9596
126 7WA 0.9594
127 F60 0.9594
128 0R0 0.9592
129 JIF 0.9590
130 F4Z 0.9587
131 35C 0.9587
132 4CH 0.9586
133 T6C 0.9586
134 5H1 0.9585
135 BTE 0.9584
136 2K4 0.9584
137 7MH 0.9583
138 HPY 0.9578
139 282 0.9576
140 TC7 0.9575
141 HGQ 0.9572
142 ES9 0.9572
143 ES4 0.9572
144 9EW 0.9572
145 8H8 0.9572
146 FPI 0.9571
147 J1Z 0.9570
148 PM6 0.9570
149 DUC 0.9569
150 ARB 0.9567
151 TH7 0.9565
152 BML 0.9564
153 938 0.9560
154 1DW 0.9557
155 GLC 0.9557
156 DFU 0.9556
157 CYH 0.9556
158 HTS 0.9553
159 F05 0.9553
160 HX3 0.9553
161 4JP 0.9552
162 4JN 0.9550
163 285 0.9547
164 AMC 0.9547
165 HLR 0.9546
166 23A 0.9544
167 11S 0.9543
168 JZ3 0.9541
169 IDM 0.9539
170 SYN 0.9539
171 PYG 0.9539
172 JFD 0.9535
173 H4N 0.9529
174 HBA 0.9528
175 3MC 0.9527
176 SWD 0.9526
177 IOL 0.9525
178 YAN 0.9520
179 FK1 0.9513
180 AX7 0.9509
181 270 0.9509
182 HMU 0.9507
183 SVN 0.9506
184 PHB 0.9505
185 PYF 0.9504
186 25W 0.9502
187 BP1 0.9500
188 HBX 0.9499
189 HHQ 0.9496
190 M1A 0.9495
191 4XX 0.9495
192 H3M 0.9495
193 DFB 0.9492
194 0RW 0.9489
195 275 0.9489
196 CXL 0.9489
197 QUZ 0.9488
198 3XX 0.9488
199 2MI 0.9480
200 XXR 0.9480
201 TMT 0.9477
202 6X8 0.9477
203 TMZ 0.9476
204 RIB 0.9476
205 HAI 0.9473
206 Q88 0.9472
207 FCA 0.9470
208 GBD 0.9469
209 TBP 0.9469
210 FFP 0.9468
211 NPY 0.9465
212 3FA 0.9464
213 ECE 0.9464
214 F81 0.9462
215 GMN 0.9461
216 2C9 0.9455
217 MBD 0.9453
218 PY7 0.9451
219 XQ0 0.9450
220 MLT 0.9448
221 ABV 0.9446
222 ES0 0.9445
223 ABN 0.9445
224 ADZ 0.9441
225 1XX 0.9440
226 CWM 0.9437
227 FLM 0.9433
228 2MY 0.9431
229 1P7 0.9430
230 H8N 0.9429
231 ISN 0.9428
232 ABE 0.9420
233 OXQ 0.9420
234 67N 0.9419
235 GAG 0.9418
236 6M4 0.9418
237 8NY 0.9416
238 6M9 0.9415
239 SAL 0.9412
240 3CE 0.9410
241 KKN 0.9410
242 NOJ 0.9407
243 HIU 0.9407
244 NBZ 0.9406
245 MAK 0.9404
246 6MH 0.9404
247 DUB 0.9403
248 YCP 0.9403
249 F5B 0.9400
250 JZ9 0.9400
251 BGC 0.9399
252 7B4 0.9397
253 3U4 0.9397
254 4M4 0.9395
255 64K 0.9395
256 HY3 0.9394
257 4VP 0.9392
258 GCS 0.9392
259 7W4 0.9390
260 1SQ 0.9389
261 4SV 0.9389
262 DGJ 0.9389
263 OAA 0.9385
264 2CM 0.9383
265 V55 0.9381
266 1MR 0.9380
267 5AC 0.9379
268 O72 0.9378
269 BEZ 0.9378
270 5Q0 0.9377
271 1LQ 0.9377
272 NCA 0.9377
273 ES7 0.9376
274 BEN 0.9374
275 GXE 0.9373
276 MBN 0.9373
277 JAE 0.9372
278 JB5 0.9372
279 JPZ 0.9371
280 5B1 0.9370
281 BE2 0.9370
282 ES1 0.9369
283 60P 0.9369
284 IPH 0.9367
285 TM4 0.9366
286 ICC 0.9366
287 5IQ 0.9365
288 1NP 0.9363
289 4YS 0.9363
290 9X7 0.9363
291 5SG 0.9361
292 6PC 0.9361
293 286 0.9360
294 FE DB1 0.9359
295 PRO 0.9359
296 F0J 0.9358
297 ES6 0.9358
298 PZA 0.9358
299 5NU 0.9358
300 IFM 0.9358
301 DBH 0.9357
302 4AP 0.9357
303 HQY 0.9355
304 WOT 0.9355
305 R8A 0.9354
306 C2B 0.9354
307 VGL 0.9353
308 5WV 0.9353
309 1LM 0.9351
310 P3K 0.9351
311 DMD 0.9350
312 AZF 0.9349
313 8CL 0.9348
314 HVK 0.9348
315 3AP 0.9348
316 2AP 0.9348
317 3HA 0.9347
318 JBH 0.9347
319 LMR 0.9347
320 FUF 0.9347
321 DMG 0.9347
322 3F0 0.9346
323 3ID 0.9345
324 3M0 0.9340
325 N5J 0.9338
326 HRZ 0.9338
327 4HM 0.9338
328 23W 0.9337
329 265 0.9336
330 2AQ 0.9335
331 24W 0.9334
332 FOA 0.9333
333 FCB 0.9333
334 BAM 0.9332
335 4FS 0.9331
336 ES5 0.9327
337 AZA 0.9327
338 TP5 0.9326
339 YHO 0.9326
340 6UA 0.9326
341 2A9 0.9326
342 AX2 0.9325
343 S76 0.9325
344 LGA 0.9321
345 9PO 0.9321
346 5RG 0.9321
347 FBA 0.9320
348 PYC 0.9319
349 RAM 0.9316
350 NIO 0.9315
351 SOE 0.9315
352 BE7 0.9314
353 GYE 0.9312
354 C2A 0.9311
355 2D0 0.9310
356 3MH 0.9310
357 2CK 0.9310
358 WDL 0.9309
359 2DR 0.9309
360 UNU 0.9308
361 IGA 0.9307
362 5AN 0.9307
363 6AP 0.9305
364 2KT 0.9305
365 G3F 0.9305
366 13X 0.9304
367 4JL 0.9304
368 TTO 0.9303
369 2IM 0.9303
370 4NC 0.9302
371 BR8 0.9302
372 COU 0.9300
373 G2F 0.9299
374 XM0 0.9297
375 03V 0.9296
376 6HQ 0.9296
377 OXZ 0.9295
378 2ZX 0.9294
379 1WD 0.9294
380 9DG 0.9293
381 7HQ 0.9291
382 NEQ 0.9291
383 2PC 0.9291
384 XAN 0.9290
385 5ZE 0.9289
386 OCH 0.9289
387 G4D 0.9289
388 CYS 0.9288
389 JZ1 0.9286
390 A2F 0.9285
391 GAL 0.9285
392 6CS 0.9285
393 290 0.9284
394 B53 0.9280
395 KIV 0.9280
396 FAN 0.9278
397 3AY 0.9277
398 NTN 0.9276
399 HH8 0.9275
400 KG7 0.9272
401 JBN 0.9272
402 DHB 0.9270
403 R8S 0.9268
404 YH7 0.9267
405 9CL 0.9267
406 8S0 0.9266
407 R2B 0.9265
408 HH5 0.9264
409 CFP 0.9263
410 DTL 0.9260
411 0CU 0.9259
412 GAB 0.9259
413 MLI 0.9256
414 YTB 0.9254
415 3DO 0.9254
416 TZC 0.9253
417 P9P 0.9253
418 ARA 0.9253
419 GUN 0.9252
420 JBE 0.9252
421 280 0.9252
422 2HO 0.9248
423 3PY 0.9248
424 NOY 0.9248
425 94N 0.9247
426 3HM 0.9247
427 4XH 0.9247
428 INO 0.9247
429 HHN 0.9246
430 L3Q 0.9246
431 AZG 0.9245
432 RM4 0.9245
433 EUG 0.9243
434 1AB 0.9242
435 XX2 0.9241
436 MYJ 0.9240
437 25T 0.9240
438 24T 0.9238
439 JKE 0.9237
440 5HN 0.9236
441 5CU 0.9236
442 3HB 0.9235
443 VAL 0.9234
444 RNS 0.9233
445 FA0 0.9232
446 SMV 0.9232
447 EXO 0.9232
448 I3A 0.9230
449 IT2 0.9230
450 JAB 0.9229
451 LDU 0.9229
452 EDG 0.9227
453 5XC 0.9227
454 3DM 0.9226
455 BHO 0.9226
456 3NT 0.9225
457 8GC 0.9225
458 2XX 0.9224
459 PIH 0.9223
460 PYJ 0.9223
461 3RK 0.9222
462 1DH 0.9221
463 2A7 0.9220
464 FHB 0.9219
465 ERH 0.9218
466 RP7 0.9216
467 EQT 0.9216
468 BOA 0.9214
469 DOB 0.9214
470 OHG 0.9214
471 42A 0.9213
472 4M0 0.9213
473 4A3 0.9212
474 93K 0.9212
475 APY 0.9212
476 C5J 0.9210
477 H42 0.9209
478 82I 0.9208
479 4CS 0.9207
480 4JM 0.9206
481 NNO 0.9205
482 DSN 0.9205
483 5OB 0.9204
484 DGY 0.9204
485 2FG 0.9204
486 273 0.9204
487 BHA 0.9202
488 DXX 0.9202
489 GTQ 0.9202
490 VNJ 0.9202
491 1XM 0.9201
492 141 0.9201
493 MFB 0.9201
494 A2Q 0.9200
495 NPO 0.9200
496 SS1 0.9200
497 DX4 0.9199
498 HGW 0.9197
499 LZM 0.9196
500 AC0 0.9196
501 MB3 0.9196
502 14J 0.9193
503 E60 0.9192
504 FDB 0.9192
505 RSO 0.9192
506 HSE 0.9192
507 BCP 0.9191
508 CEJ 0.9191
509 1XN 0.9190
510 7WV 0.9190
511 ASO 0.9190
512 IFL 0.9189
513 DTI 0.9188
514 GLA 0.9188
515 B24 0.9188
516 3AB 0.9187
517 M58 0.9186
518 PBC 0.9186
519 5M0 0.9186
520 RM1 0.9186
521 P92 0.9182
522 MZW 0.9182
523 KSW 0.9182
524 C21 0.9178
525 36R 0.9176
526 OVV 0.9175
527 261 0.9174
528 CLW 0.9173
529 1P8 0.9173
530 9TW 0.9172
531 IF7 0.9172
532 PCA 0.9172
533 9TZ 0.9171
534 5MK 0.9170
535 QSC 0.9169
536 KYD 0.9169
537 12M 0.9168
538 BZ3 0.9162
539 GIO 0.9162
540 BP9 0.9161
541 5VM 0.9161
542 SER 0.9161
543 CIZ 0.9158
544 WCE 0.9157
545 CHB 0.9155
546 53C 0.9155
547 7EX 0.9155
548 2H5 0.9155
549 URQ 0.9153
550 L60 0.9150
551 ADK 0.9150
552 AGK 0.9150
553 3MA 0.9147
554 MLM 0.9146
555 ISE 0.9145
556 3BZ 0.9144
557 FP1 0.9144
558 0W8 0.9144
559 MZ0 0.9143
560 93B 0.9140
561 FQI 0.9139
562 ET2 0.9138
563 717 0.9138
564 9TY 0.9138
565 5CL 0.9136
566 MR1 0.9135
567 HSL 0.9133
568 TCZ 0.9131
569 M2H 0.9131
570 0P6 0.9131
571 1DU 0.9131
572 2ZV 0.9130
573 SX1 0.9128
574 54D 0.9128
575 CRN 0.9128
576 BSX 0.9127
577 3SK 0.9126
578 DAB 0.9125
579 BRT 0.9125
580 TAR 0.9125
581 CWS 0.9120
582 QSB 0.9119
583 149 0.9119
584 TFB 0.9118
585 BTY 0.9116
586 KT7 0.9114
587 ES2 0.9113
588 UGC 0.9112
589 ASN 0.9112
590 GIV 0.9112
591 HHA 0.9110
592 LCN 0.9110
593 LDP 0.9110
594 M1E 0.9109
595 H76 0.9108
596 47J 0.9107
597 URP 0.9106
598 6F0 0.9104
599 ASP 0.9104
600 URC 0.9102
601 ALO 0.9101
602 6LW 0.9101
603 2EC 0.9099
604 DTU 0.9099
605 PEA 0.9099
606 7VJ 0.9098
607 ISZ 0.9096
608 86J 0.9095
609 V1L 0.9095
610 NVI 0.9094
611 QWN 0.9094
612 JBK 0.9093
613 MLA 0.9093
614 MNM 0.9093
615 GRE 0.9092
616 HYN 0.9090
617 R1X 0.9089
618 8CM 0.9087
619 NMJ 0.9087
620 278 0.9084
621 PXL 0.9084
622 INS 0.9084
623 B55 0.9082
624 ALL 0.9082
625 XBT 0.9082
626 GIF 0.9081
627 K2T 0.9080
628 9MG 0.9079
629 MMZ 0.9079
630 69O 0.9077
631 KUF 0.9075
632 XIX 0.9075
633 MBG 0.9075
634 O7U 0.9073
635 FBB 0.9072
636 QXW 0.9072
637 6GU 0.9070
638 PAF 0.9070
639 B57 0.9069
640 F9Y 0.9069
641 XQG 0.9068
642 MAE 0.9067
643 PAB 0.9066
644 X6X 0.9066
645 NIZ 0.9066
646 8TX 0.9064
647 FLA 0.9064
648 RUU 0.9063
649 Z6J 0.9062
650 MAN 0.9061
651 ABA 0.9060
652 LRH 0.9060
653 PRS 0.9058
654 75K 0.9056
655 PE0 0.9054
656 R8V 0.9054
657 DPR 0.9053
658 PZI 0.9053
659 MRY 0.9051
660 GOO 0.9051
661 DHK 0.9051
662 BVC 0.9050
663 Q24 0.9049
664 IHB 0.9046
665 KJY 0.9043
666 5JQ 0.9041
667 GXL 0.9040
668 PBZ 0.9038
669 AZ8 0.9036
670 IMR 0.9035
671 1M2 0.9034
672 ITN 0.9033
673 E7Z 0.9032
674 ZZ3 0.9032
675 VNL 0.9031
676 4JT 0.9030
677 HBD 0.9030
678 AC6 0.9030
679 P72 0.9029
680 M5K 0.9028
681 ICF 0.9025
682 6M1 0.9024
683 A7W 0.9023
684 IP0 0.9022
685 Z82 0.9022
686 THR 0.9020
687 SS2 0.9018
688 GAF 0.9018
689 2HQ 0.9013
690 QBK 0.9012
691 FOT 0.9012
692 12Q 0.9011
693 DIE 0.9011
694 1Y6 0.9010
695 MRW 0.9009
696 260 0.9009
697 KJH 0.9007
698 826 0.9004
699 XIY 0.9004
700 BMA 0.9003
701 XAZ 0.9002
702 VGD 0.9002
703 GXY 0.9002
704 9YL 0.9002
705 8IG 0.9001
706 5JL 0.8999
707 SEJ 0.8998
708 LER 0.8997
709 1GN 0.8996
710 DMI 0.8995
711 7W1 0.8994
712 8WO 0.8993
713 7WG 0.8992
714 PA1 0.8991
715 DMJ 0.8990
716 JLZ 0.8990
717 WOO 0.8989
718 KBG 0.8988
719 MEW 0.8987
720 YIO 0.8985
721 ZBT 0.8985
722 4AA 0.8984
723 1P3 0.8982
724 8WT 0.8981
725 FUB 0.8980
726 DIN 0.8978
727 4MA 0.8978
728 174 0.8977
729 UNC 0.8977
730 SW7 0.8976
731 HZP 0.8976
732 F31 0.8976
733 BCF 0.8975
734 GLU 0.8975
735 AQO 0.8974
736 XRG 0.8973
737 OXC 0.8973
738 M6N 0.8971
739 ORO 0.8971
740 UY7 0.8966
741 CXF 0.8966
742 FBM 0.8963
743 BBF 0.8963
744 EA1 0.8963
745 5QX 0.8962
746 DYA 0.8961
747 VOH 0.8961
748 SJ5 0.8959
749 FRU 0.8959
750 3OC 0.8958
751 HFB 0.8957
752 CFI 0.8955
753 P2D 0.8954
754 IV2 0.8953
755 BNS 0.8952
756 BVG 0.8950
757 XUL 0.8950
758 HJP 0.8949
759 39A 0.8948
760 HUI 0.8946
761 BDP 0.8946
762 7NI 0.8945
763 HYP 0.8944
764 3SL 0.8943
765 2LP 0.8942
766 LGC 0.8940
767 HSM 0.8938
768 32X 0.8936
769 SYV 0.8936
770 AUD 0.8932
771 RHU 0.8930
772 4HC 0.8930
773 3WA 0.8929
774 KPL 0.8929
775 HCS 0.8929
776 TTL 0.8928
777 AJ2 0.8927
778 IJZ 0.8926
779 HQT 0.8926
780 3Z8 0.8925
781 PFB 0.8924
782 4Z4 0.8923
783 SWA 0.8923
784 PXM 0.8922
785 MWP 0.8921
786 HVQ 0.8921
787 4AX 0.8920
788 HIO 0.8920
789 3PF 0.8919
790 J9W 0.8916
791 NBE 0.8915
792 AFR 0.8914
793 EKZ 0.8912
794 G3E 0.8912
795 AAE 0.8910
796 OK7 0.8910
797 2BG 0.8910
798 DAS 0.8909
799 SKM 0.8909
800 FBV 0.8907
801 GDE 0.8904
802 DQN 0.8902
803 HZQ 0.8902
804 42J 0.8902
805 MQN 0.8901
806 32O 0.8901
807 TLA 0.8900
808 DOR 0.8899
809 FDK 0.8898
810 SRT 0.8896
811 CGB 0.8896
812 34D 0.8895
813 SIN 0.8893
814 Q6T 0.8893
815 C2U 0.8893
816 95Z 0.8893
817 TEO 0.8892
818 JZ5 0.8892
819 4FA 0.8892
820 40E 0.8892
821 F3B 0.8889
822 5QY 0.8888
823 TZE 0.8887
824 IBF 0.8886
825 YRL 0.8885
826 4PW 0.8884
827 MT0 0.8883
828 JBQ 0.8883
829 8ZE 0.8883
830 PRY 0.8880
831 SHG 0.8880
832 FPK 0.8878
833 AW5 0.8876
834 PEL 0.8874
835 JZ4 0.8873
836 NXA 0.8873
837 4YO 0.8872
838 ORN 0.8872
839 AEF 0.8869
840 2RA 0.8866
841 495 0.8866
842 M1Q 0.8865
843 NVA 0.8863
844 JZ7 0.8862
845 LT2 0.8862
846 MRZ 0.8861
847 NDM 0.8860
848 D1X 0.8860
849 LYL 0.8859
850 SHA 0.8859
851 42C 0.8858
852 A3B 0.8857
853 DBB 0.8857
854 5RN 0.8857
855 G5V 0.8856
856 ZXD 0.8855
857 SKA 0.8854
858 MO8 0.8853
859 MSN 0.8852
860 M0W 0.8849
861 DCY 0.8847
862 UEG 0.8844
863 7MU 0.8843
864 TIU 0.8840
865 ODV 0.8840
866 IPZ 0.8839
867 SE2 0.8839
868 M1H 0.8839
869 PKU 0.8838
870 1DQ 0.8838
871 JA8 0.8837
872 CEE 0.8837
873 HY1 0.8836
874 AKH 0.8834
875 KIA 0.8834
876 J5I 0.8834
877 KIB 0.8834
878 51F 0.8834
879 EV0 0.8831
880 BDF 0.8831
881 4XV 0.8830
882 4JQ 0.8829
883 7VS 0.8827
884 ILE 0.8826
885 ICO 0.8824
886 HX2 0.8824
887 PZM 0.8824
888 DIU 0.8824
889 1AC 0.8824
890 OVM 0.8822
891 2AL 0.8821
892 GCU 0.8821
893 3MB 0.8820
894 HLZ 0.8820
895 6RQ 0.8818
896 PCI 0.8817
897 DRL 0.8817
898 M0Q 0.8816
899 0TU 0.8816
900 HXX 0.8815
901 7N0 0.8813
902 TPA 0.8813
903 F9P 0.8811
904 5WX 0.8811
905 8EZ 0.8809
906 SPV 0.8808
907 948 0.8808
908 QSH 0.8808
909 CTL 0.8808
910 1U6 0.8808
911 GLF 0.8807
912 MET 0.8806
913 51R 0.8804
914 DBJ 0.8802
915 AKB 0.8802
916 IFP 0.8801
917 173 0.8801
918 D48 0.8800
919 FH2 0.8800
920 X0V 0.8800
921 192 0.8799
922 4P5 0.8799
923 A65 0.8798
924 PBE 0.8798
925 FGZ 0.8798
926 3IT 0.8793
927 ARW 0.8792
928 3V4 0.8788
929 1LN 0.8788
930 DHQ 0.8787
931 GTR 0.8785
932 4SX 0.8784
933 0JD 0.8779
934 I1N 0.8778
935 EYK 0.8777
936 DHS 0.8775
937 CN0 0.8774
938 94B 0.8772
939 TFU 0.8771
940 4XS 0.8769
941 KMT 0.8769
942 3MT 0.8767
943 LKA 0.8767
944 PEP 0.8763
945 1DV 0.8758
946 FA1 0.8757
947 3MG 0.8755
948 RB5 0.8754
949 DHR 0.8754
950 MUA 0.8753
951 PHU 0.8752
952 XYL 0.8751
953 3FH 0.8749
954 BAE 0.8749
955 OXL 0.8748
956 XHP 0.8746
957 GLT 0.8744
958 0HO 0.8744
959 IQ0 0.8740
960 DIG 0.8739
961 LEU 0.8737
962 T2C 0.8735
963 EVA 0.8734
964 B60 0.8733
965 MXN 0.8731
966 HDA 0.8729
967 OXM 0.8728
968 KDV 0.8727
969 KJU 0.8727
970 QX2 0.8726
971 0HN 0.8724
972 ZWZ 0.8723
973 DBX 0.8723
974 92K 0.8721
975 CP 0.8721
976 AZ9 0.8719
977 JND 0.8717
978 N2I 0.8717
979 SR1 0.8716
980 OTW 0.8715
981 HGY 0.8714
982 XCZ 0.8713
983 AMT 0.8712
984 QWW 0.8712
985 MFU 0.8712
986 5RO 0.8710
987 FB1 0.8709
988 XLS 0.8707
989 COI 0.8706
990 TEP 0.8705
991 4ZA 0.8704
992 1F1 0.8703
993 OW4 0.8702
994 3NY 0.8702
995 SF9 0.8702
996 44W 0.8699
997 HQD 0.8699
998 PYQ 0.8698
999 98J 0.8698
1000 KBB 0.8697
1001 ABU 0.8697
1002 LSA 0.8691
1003 5GU 0.8690
1004 B62 0.8690
1005 OXD 0.8690
1006 SAN 0.8687
1007 2MN 0.8686
1008 6KX 0.8683
1009 SVD 0.8683
1010 H7Y 0.8682
1011 ASC 0.8682
1012 2ZM 0.8677
1013 J9T 0.8677
1014 EOL 0.8674
1015 PYR 0.8674
1016 LNR 0.8673
1017 6NT 0.8671
1018 0FO 0.8667
1019 4FH 0.8667
1020 1CB 0.8667
1021 PAE 0.8666
1022 AEH 0.8666
1023 DQU 0.8663
1024 UAN 0.8662
1025 3R6 0.8661
1026 ATQ 0.8660
1027 PAC 0.8660
1028 BAQ 0.8660
1029 FBT 0.8659
1030 QY9 0.8659
1031 PRF 0.8659
1032 FB2 0.8657
1033 N8Y 0.8656
1034 PQ0 0.8656
1035 NDH 0.8655
1036 PBR 0.8654
1037 GLL 0.8654
1038 NTM 0.8652
1039 TMH 0.8651
1040 PMB 0.8645
1041 N8P 0.8644
1042 2EZ 0.8644
1043 JXN 0.8642
1044 ABI 0.8641
1045 PHT 0.8639
1046 4MZ 0.8639
1047 CTS 0.8639
1048 LFR 0.8636
1049 3A9 0.8633
1050 SOR 0.8633
1051 SN4 0.8631
1052 8OZ 0.8630
1053 1MZ 0.8630
1054 DNF 0.8627
1055 BEA 0.8625
1056 2MZ 0.8625
1057 TWO 0.8624
1058 5MP 0.8623
1059 271 0.8623
1060 KP6 0.8623
1061 GOJ 0.8621
1062 3TR 0.8621
1063 SFU 0.8620
1064 SXS 0.8619
1065 680 0.8618
1066 6NI 0.8618
1067 GCB 0.8616
1068 4WL 0.8614
1069 MR3 0.8613
1070 TSU 0.8613
1071 APZ 0.8611
1072 PAV 0.8608
1073 PYM 0.8608
1074 ADA 0.8607
1075 JUG 0.8605
1076 N7P 0.8603
1077 2HU 0.8602
1078 QX4 0.8602
1079 NQ 0.8601
1080 HOW 0.8601
1081 TSS 0.8600
1082 GJS 0.8600
1083 RMN 0.8600
1084 JAW 0.8599
1085 MVN 0.8598
1086 VK3 0.8597
1087 RXA 0.8597
1088 2AI 0.8597
1089 FCR 0.8596
1090 2GS 0.8596
1091 K34 0.8594
1092 PNZ 0.8593
1093 ANN 0.8592
1094 2FY 0.8592
1095 2PG 0.8592
1096 GBL 0.8590
1097 069 0.8590
1098 JZ6 0.8589
1099 44V 0.8588
1100 D07 0.8587
1101 5NI 0.8587
1102 YSO 0.8586
1103 12B 0.8586
1104 5KX 0.8584
1105 OVP 0.8582
1106 BYZ 0.8577
1107 QAT 0.8576
1108 L99 0.8574
1109 FBW 0.8572
1110 4NM 0.8568
1111 AC5 0.8567
1112 IOM 0.8566
1113 G1O 0.8565
1114 GM7 0.8561
1115 B20 0.8557
1116 7WR 0.8547
1117 BUO 0.8545
1118 INE 0.8544
1119 259 0.8537
1120 IVA 0.8536
1121 TGX 0.8535
1122 SNE 0.8533
1123 ES3 0.8524
1124 BNZ 0.8520
1125 CSS 0.8518
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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