Receptor
PDB id Resolution Class Description Source Keywords
1dlt 1.9 Å EC: 1.13.11.1 STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. BOUND CATECHOL ACINETOBACTER SP. METALLOENZYME DIOXYGENASE AROMATIC HYDROCARBON DEGREDATIONALPHA/BETA MOTIF SUBSTRATE OXIDOREDUCTASE
Ref.: THE 1.8 A CRYSTAL STRUCTURE OF CATECHOL 1,2-DIOXYGE REVEALS A NOVEL HYDROPHOBIC HELICAL ZIPPER AS A SUB LINKER. STRUCTURE FOLD.DES. V. 8 429 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAQ A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
110.111 C6 H6 O2 c1ccc...
FE A:400;
B:400;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
LIO A:1999;
B:999;
Valid;
Valid;
none;
none;
submit data
636.861 C33 H67 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DMH 1.7 Å EC: 1.13.11.1 STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. BOUND 4-METHYLCATECHOL ACINETOBACTER SP. DIOXYGENASE AROMATIC HYDROCARBON DEGRADATION ALPHA/BETA FOMETALLOENZYME SUBSTRATE OXIDOREDUCTASE
Ref.: THE 1.8 A CRYSTAL STRUCTURE OF CATECHOL 1,2-DIOXYGE REVEALS A NOVEL HYDROPHOBIC HELICAL ZIPPER AS A SUB LINKER. STRUCTURE FOLD.DES. V. 8 429 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DMH - LIO C33 H67 N O8 P CCCCCCCCCC....
2 1DLQ - LIO C33 H67 N O8 P CCCCCCCCCC....
3 1DLT - LIO C33 H67 N O8 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DMH - LIO C33 H67 N O8 P CCCCCCCCCC....
2 1DLQ - LIO C33 H67 N O8 P CCCCCCCCCC....
3 1DLT - LIO C33 H67 N O8 P CCCCCCCCCC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1DMH - LIO C33 H67 N O8 P CCCCCCCCCC....
2 1DLQ - LIO C33 H67 N O8 P CCCCCCCCCC....
3 1DLT - LIO C33 H67 N O8 P CCCCCCCCCC....
4 2XSR - PIE C43 H80 O13 P CCCCCCCCCC....
5 2XSV - PIE C43 H80 O13 P CCCCCCCCCC....
6 2XSU - PIE C43 H80 O13 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CAQ; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 CAQ 1 1
2 2AF 0.526316 0.6
3 2BR 0.5 0.619048
4 2CH 0.5 0.619048
5 5VL 0.5 0.75
6 JZ0 0.5 0.722222
7 HTS 0.5 0.714286
8 6X8 0.5 0.619048
9 FP2 0.5 0.619048
10 PYG 0.421053 0.85
11 JZ1 0.416667 0.619048
12 0R0 0.416667 0.619048
13 IP0 0.416667 0.65
14 JZ3 0.416667 0.75
15 NK 0.416667 0.736842
16 SAL 0.4 0.681818
Ligand no: 2; Ligand: LIO; 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: CAQ; Similar ligands found: 734
No: Ligand Similarity coefficient
1 3ZQ 1.0262
2 8LG 1.0000
3 L89 1.0000
4 92Z 1.0000
5 76X 1.0000
6 93Q 1.0000
7 1AN 1.0000
8 OXE 1.0000
9 BEW 1.0000
10 40O 1.0000
11 938 1.0000
12 YAN 0.9972
13 XYS 0.9888
14 MB3 0.9883
15 DTI 0.9864
16 KSW 0.9861
17 XYP 0.9847
18 4DX 0.9839
19 HSL 0.9821
20 0TR 0.9815
21 MMZ 0.9801
22 DMI 0.9777
23 7CZ 0.9773
24 4AX 0.9772
25 WBU 0.9757
26 1PT 0.9750
27 ICP 0.9746
28 PYD 0.9746
29 LXC 0.9740
30 FPY 0.9735
31 DAB 0.9732
32 4ZE 0.9731
33 285 0.9730
34 1MC 0.9726
35 MWM 0.9725
36 RSF 0.9722
37 QOS 0.9721
38 A1U 0.9721
39 MCT 0.9717
40 URF 0.9713
41 2MP 0.9712
42 RP7 0.9712
43 R8A 0.9708
44 XYD 0.9708
45 1XX 0.9701
46 34A 0.9698
47 2AC 0.9689
48 TDR 0.9687
49 TM7 0.9685
50 CYT 0.9685
51 TMT 0.9683
52 XBZ 0.9672
53 SER 0.9666
54 0MK 0.9665
55 LG3 0.9663
56 5UC 0.9663
57 43M 0.9660
58 4HO 0.9660
59 TH0 0.9658
60 5MH 0.9657
61 IPH 0.9657
62 0CT 0.9655
63 DTL 0.9655
64 H3M 0.9654
65 HPY 0.9653
66 URA 0.9652
67 RCO 0.9650
68 JZ2 0.9649
69 4CL 0.9647
70 8GF 0.9644
71 DUC 0.9643
72 4JO 0.9642
73 4JJ 0.9641
74 284 0.9640
75 TMZ 0.9640
76 3MC 0.9638
77 MZG 0.9637
78 J1Z 0.9637
79 DXX 0.9637
80 MBN 0.9633
81 26D 0.9630
82 3FA 0.9623
83 HT4 0.9622
84 A2Q 0.9622
85 FFP 0.9619
86 CRS 0.9618
87 FLM 0.9618
88 IND 0.9617
89 280 0.9617
90 2RA 0.9616
91 3CH 0.9613
92 GVH 0.9613
93 ARA 0.9613
94 27Y 0.9612
95 GMN 0.9611
96 4XX 0.9609
97 2YU 0.9608
98 4JP 0.9607
99 BR9 0.9606
100 64K 0.9602
101 MBD 0.9602
102 MWJ 0.9601
103 CXL 0.9599
104 V1L 0.9594
105 0R1 0.9592
106 DSN 0.9591
107 9PO 0.9588
108 LGA 0.9588
109 WOT 0.9588
110 MPI 0.9587
111 HRZ 0.9586
112 2C9 0.9585
113 BZI 0.9585
114 BZF 0.9584
115 LG5 0.9584
116 5JC 0.9584
117 286 0.9582
118 GXE 0.9582
119 BVF 0.9580
120 HVK 0.9580
121 3AP 0.9579
122 ARB 0.9574
123 DEN 0.9572
124 A3B 0.9570
125 DBB 0.9570
126 4AP 0.9569
127 ECE 0.9564
128 2MY 0.9557
129 CYH 0.9551
130 LZ1 0.9550
131 AHR 0.9549
132 2AP 0.9548
133 NEQ 0.9542
134 3CE 0.9539
135 IUR 0.9538
136 IDH 0.9537
137 IDM 0.9530
138 FCA 0.9528
139 CIG 0.9526
140 6MH 0.9521
141 2CM 0.9521
142 DGY 0.9520
143 TLD 0.9518
144 F05 0.9517
145 YHO 0.9516
146 TM4 0.9515
147 ALO 0.9510
148 RIP 0.9510
149 8CL 0.9510
150 L3Q 0.9509
151 Y8I 0.9506
152 HYN 0.9502
153 3MH 0.9500
154 7EX 0.9498
155 HGQ 0.9492
156 2MH 0.9482
157 DUB 0.9480
158 2IM 0.9479
159 MAK 0.9477
160 FUC 0.9474
161 TTO 0.9474
162 YTB 0.9470
163 275 0.9468
164 CEJ 0.9467
165 12M 0.9462
166 ICC 0.9461
167 HLR 0.9458
168 HEW 0.9458
169 9EW 0.9457
170 4H2 0.9453
171 FOA 0.9449
172 M3T 0.9446
173 B3R 0.9446
174 HAI 0.9441
175 MLT 0.9439
176 FPN 0.9438
177 PLQ 0.9438
178 SVN 0.9437
179 1WG 0.9433
180 ADE 0.9431
181 150 0.9424
182 HHQ 0.9421
183 24T 0.9420
184 HQE 0.9415
185 HPA 0.9415
186 L60 0.9410
187 7HP 0.9409
188 DFU 0.9405
189 9HX 0.9403
190 25R 0.9399
191 JZ9 0.9395
192 25W 0.9394
193 PIH 0.9394
194 GBD 0.9393
195 PCR 0.9392
196 XIX 0.9391
197 DA1 0.9389
198 LG4 0.9389
199 HIU 0.9388
200 2KT 0.9388
201 0RW 0.9388
202 9DA 0.9388
203 AZF 0.9385
204 6MP 0.9383
205 PYC 0.9382
206 7WA 0.9382
207 OXQ 0.9382
208 BTE 0.9382
209 KG7 0.9376
210 265 0.9375
211 ES4 0.9372
212 PXY 0.9368
213 HHN 0.9368
214 2CQ 0.9364
215 PRO 0.9363
216 93B 0.9360
217 FUL 0.9358
218 2DR 0.9357
219 OXM 0.9350
220 4CH 0.9348
221 SEJ 0.9345
222 45C 0.9343
223 10L 0.9341
224 PM6 0.9339
225 G6D 0.9336
226 ABE 0.9331
227 94N 0.9330
228 JAB 0.9330
229 E60 0.9329
230 JBN 0.9329
231 FUF 0.9326
232 F4Z 0.9323
233 OXL 0.9322
234 TZC 0.9320
235 FYU 0.9318
236 2OP 0.9316
237 6M4 0.9311
238 ZZT 0.9311
239 3Z7 0.9310
240 23A 0.9303
241 4JU 0.9302
242 278 0.9302
243 HGY 0.9301
244 DMG 0.9299
245 24B 0.9299
246 4HS 0.9296
247 NBZ 0.9295
248 WDL 0.9291
249 BP1 0.9291
250 2PC 0.9289
251 XXR 0.9288
252 BML 0.9287
253 HGW 0.9282
254 4JN 0.9281
255 GAG 0.9277
256 AX2 0.9276
257 282 0.9276
258 MLA 0.9272
259 5AC 0.9272
260 260 0.9270
261 MLI 0.9269
262 DPR 0.9267
263 47J 0.9267
264 BEZ 0.9266
265 6UA 0.9265
266 TC7 0.9264
267 SWD 0.9264
268 C5J 0.9264
269 BEN 0.9263
270 PYR 0.9263
271 R2B 0.9263
272 SYN 0.9262
273 TP5 0.9262
274 HUI 0.9259
275 6HQ 0.9258
276 Z6J 0.9258
277 LAC 0.9257
278 25T 0.9254
279 OXD 0.9254
280 NIS 0.9254
281 BR8 0.9253
282 13X 0.9253
283 YCP 0.9252
284 IOL 0.9251
285 TFB 0.9250
286 HY3 0.9246
287 B20 0.9244
288 03W 0.9241
289 3AY 0.9241
290 MLM 0.9241
291 NCA 0.9239
292 ABN 0.9237
293 PRS 0.9233
294 JBE 0.9232
295 NPY 0.9230
296 2ZX 0.9229
297 273 0.9228
298 BNZ 0.9227
299 DAL 0.9223
300 VAL 0.9222
301 5ZE 0.9221
302 QUZ 0.9221
303 2XX 0.9215
304 6M9 0.9214
305 0PY 0.9206
306 HMH 0.9206
307 PHZ 0.9203
308 SMV 0.9203
309 1DW 0.9201
310 8H8 0.9201
311 BAM 0.9197
312 KIV 0.9196
313 ASP 0.9195
314 HBX 0.9194
315 CYS 0.9189
316 1AC 0.9187
317 GOO 0.9187
318 IFM 0.9187
319 ALA 0.9186
320 1DH 0.9185
321 EDG 0.9180
322 4ZC 0.9178
323 PYF 0.9178
324 IQ0 0.9178
325 VNJ 0.9177
326 LER 0.9175
327 OAA 0.9173
328 MZ0 0.9173
329 FUB 0.9172
330 3PY 0.9171
331 3U4 0.9170
332 BZX 0.9168
333 RAM 0.9167
334 6AI 0.9165
335 PYM 0.9164
336 BE2 0.9163
337 6PC 0.9162
338 35C 0.9161
339 M2H 0.9159
340 4SV 0.9155
341 NBE 0.9154
342 60P 0.9152
343 3SK 0.9151
344 PY7 0.9150
345 1MR 0.9150
346 2CK 0.9148
347 P3K 0.9147
348 1LN 0.9145
349 51F 0.9144
350 NSP 0.9144
351 C21 0.9143
352 3XX 0.9142
353 PZA 0.9142
354 F5B 0.9142
355 P1R 0.9139
356 GOL 0.9139
357 T6C 0.9135
358 OXZ 0.9133
359 EXO 0.9131
360 3MT 0.9131
361 BAQ 0.9131
362 JIF 0.9130
363 DFB 0.9129
364 5Y9 0.9129
365 MFB 0.9129
366 VGL 0.9128
367 1WD 0.9124
368 7MH 0.9122
369 GLC 0.9120
370 ES9 0.9119
371 5MB 0.9113
372 APY 0.9110
373 HMU 0.9110
374 JKE 0.9109
375 ERH 0.9108
376 ASN 0.9106
377 TAR 0.9106
378 23W 0.9103
379 IT2 0.9103
380 BUO 0.9102
381 ES6 0.9102
382 FPK 0.9102
383 NAK 0.9101
384 5H1 0.9099
385 T2C 0.9097
386 1AB 0.9096
387 PYJ 0.9094
388 FCB 0.9094
389 THR 0.9091
390 ADZ 0.9090
391 1CB 0.9090
392 NVI 0.9088
393 AMT 0.9085
394 RIB 0.9083
395 B24 0.9081
396 NIO 0.9081
397 GBL 0.9081
398 G2F 0.9081
399 1XN 0.9080
400 JFD 0.9080
401 M58 0.9080
402 ABA 0.9078
403 CRN 0.9068
404 QSC 0.9067
405 NTN 0.9066
406 TH7 0.9065
407 9TY 0.9065
408 3TR 0.9064
409 FPI 0.9063
410 5MI 0.9057
411 F60 0.9057
412 LMR 0.9057
413 5Q0 0.9054
414 FK1 0.9053
415 HBS 0.9053
416 11S 0.9051
417 H76 0.9045
418 JAE 0.9044
419 UNU 0.9043
420 14O 0.9043
421 BSX 0.9043
422 9CL 0.9042
423 5AN 0.9042
424 ALQ 0.9040
425 H4N 0.9040
426 PRY 0.9039
427 7WV 0.9038
428 4XR 0.9037
429 4MZ 0.9036
430 FLA 0.9035
431 2K4 0.9034
432 HOW 0.9034
433 IFL 0.9034
434 SS1 0.9031
435 EQT 0.9030
436 F81 0.9027
437 ASO 0.9027
438 5SG 0.9025
439 RM4 0.9025
440 CIZ 0.9025
441 2AI 0.9023
442 HQY 0.9023
443 1NP 0.9022
444 O72 0.9021
445 8NY 0.9019
446 5MP 0.9019
447 5IQ 0.9018
448 6SP 0.9018
449 MR3 0.9017
450 G3F 0.9015
451 6KX 0.9012
452 LCN 0.9012
453 JPZ 0.9011
454 ATQ 0.9010
455 TBP 0.9009
456 1MZ 0.9009
457 NOJ 0.9008
458 1DU 0.9008
459 4YS 0.9007
460 ES1 0.9004
461 LDU 0.9003
462 270 0.9003
463 AX7 0.9003
464 N5J 0.9001
465 1LQ 0.9000
466 TZE 0.9000
467 ADK 0.8999
468 3MA 0.8999
469 1LM 0.8997
470 XBT 0.8995
471 KPL 0.8994
472 O7U 0.8993
473 PAF 0.8993
474 2MZ 0.8992
475 7B4 0.8989
476 3ZS 0.8988
477 JBH 0.8986
478 1SQ 0.8986
479 AKB 0.8985
480 7W4 0.8984
481 PBC 0.8981
482 BGC 0.8981
483 BDR 0.8981
484 BVC 0.8980
485 ITN 0.8977
486 290 0.8976
487 DCY 0.8974
488 AZA 0.8974
489 6AP 0.8973
490 HH8 0.8973
491 3RK 0.8972
492 C2A 0.8972
493 AMC 0.8971
494 P92 0.8971
495 IGA 0.8970
496 A2F 0.8969
497 CFP 0.8969
498 NOY 0.8966
499 261 0.8965
500 MZY 0.8964
501 DMJ 0.8962
502 JZ4 0.8961
503 GUN 0.8961
504 KYD 0.8960
505 XAN 0.8960
506 TCZ 0.8960
507 2LP 0.8956
508 6M1 0.8953
509 9DG 0.8952
510 P2D 0.8952
511 DCD 0.8952
512 M1A 0.8948
513 KKN 0.8948
514 YH7 0.8948
515 BOA 0.8947
516 4PW 0.8946
517 1XM 0.8943
518 TLA 0.8943
519 2MI 0.8941
520 24W 0.8940
521 4XH 0.8940
522 RNS 0.8939
523 HSE 0.8936
524 GRE 0.8935
525 5KX 0.8935
526 BHO 0.8935
527 AZG 0.8930
528 PAV 0.8928
529 ISN 0.8925
530 7HQ 0.8923
531 JZ6 0.8923
532 6GU 0.8920
533 RUU 0.8918
534 PBE 0.8917
535 ES7 0.8915
536 FP1 0.8915
537 8S0 0.8913
538 DX4 0.8913
539 INS 0.8911
540 TF4 0.8908
541 141 0.8907
542 HYP 0.8904
543 AC0 0.8903
544 MRY 0.8901
545 AGK 0.8897
546 5WV 0.8897
547 LRH 0.8896
548 XM0 0.8896
549 HHA 0.8894
550 XQ0 0.8889
551 BVG 0.8888
552 6F0 0.8888
553 GCS 0.8888
554 HH5 0.8881
555 URP 0.8879
556 ABV 0.8879
557 UY7 0.8878
558 MZW 0.8877
559 GXV 0.8875
560 82I 0.8875
561 I3A 0.8874
562 MRZ 0.8873
563 192 0.8872
564 0CU 0.8871
565 3DO 0.8870
566 GIO 0.8870
567 HBA 0.8870
568 KOJ 0.8869
569 67N 0.8856
570 2ZV 0.8850
571 BAL 0.8842
572 BYZ 0.8840
573 AAE 0.8840
574 RM1 0.8839
575 BAE 0.8839
576 1P7 0.8836
577 HX3 0.8836
578 JZ5 0.8835
579 Q88 0.8834
580 GLU 0.8833
581 DTU 0.8825
582 MAN 0.8823
583 GIF 0.8823
584 5CL 0.8823
585 3OH 0.8822
586 3NT 0.8821
587 LGC 0.8821
588 UEG 0.8821
589 DBH 0.8818
590 DMD 0.8818
591 XQG 0.8816
592 5B1 0.8815
593 ES3 0.8814
594 MSN 0.8814
595 5M0 0.8813
596 9X7 0.8811
597 MNM 0.8811
598 GYE 0.8811
599 B53 0.8810
600 3M0 0.8810
601 3HA 0.8810
602 5RG 0.8809
603 ISE 0.8809
604 3F0 0.8807
605 HLT 0.8805
606 2A7 0.8803
607 LZM 0.8803
608 PXL 0.8802
609 GAL 0.8799
610 ES0 0.8798
611 5NU 0.8797
612 CWM 0.8793
613 FBA 0.8793
614 8EZ 0.8792
615 BCP 0.8791
616 NCM 0.8790
617 5HN 0.8789
618 CP 0.8787
619 4JL 0.8784
620 GTQ 0.8782
621 6CS 0.8782
622 42A 0.8781
623 DGJ 0.8778
624 4HM 0.8772
625 URQ 0.8772
626 CGB 0.8770
627 3ID 0.8769
628 98J 0.8768
629 S76 0.8768
630 ICN 0.8767
631 R8S 0.8766
632 3AB 0.8765
633 54G 0.8765
634 14J 0.8764
635 HVQ 0.8764
636 G4D 0.8763
637 4VP 0.8760
638 3HB 0.8756
639 PCA 0.8754
640 5MK 0.8754
641 HIO 0.8753
642 AUD 0.8751
643 MAE 0.8748
644 SX1 0.8748
645 9TZ 0.8746
646 JBK 0.8745
647 TAY 0.8745
648 1DQ 0.8743
649 PHB 0.8740
650 32O 0.8740
651 OHG 0.8739
652 NMJ 0.8737
653 8GC 0.8735
654 PYZ 0.8727
655 KBG 0.8726
656 M1E 0.8723
657 NXA 0.8722
658 F0J 0.8716
659 JB5 0.8715
660 2AQ 0.8709
661 HFB 0.8709
662 H8N 0.8708
663 ARW 0.8705
664 ZZ3 0.8705
665 PAE 0.8700
666 6LW 0.8696
667 FCN 0.8695
668 MFU 0.8695
669 4JM 0.8693
670 KJY 0.8692
671 PPF 0.8689
672 4FS 0.8687
673 39A 0.8686
674 3WA 0.8685
675 BUA 0.8683
676 BHA 0.8679
677 ES5 0.8678
678 SOE 0.8677
679 BMA 0.8677
680 5CU 0.8676
681 DOB 0.8676
682 4M0 0.8674
683 03V 0.8672
684 9MG 0.8670
685 C2B 0.8669
686 4CS 0.8663
687 2EZ 0.8663
688 BP9 0.8662
689 COU 0.8661
690 SHG 0.8659
691 FAN 0.8656
692 FA0 0.8655
693 SS2 0.8655
694 53C 0.8655
695 SRT 0.8650
696 XUL 0.8649
697 NPO 0.8649
698 DQN 0.8647
699 PRI 0.8646
700 HCS 0.8644
701 JBQ 0.8642
702 QWN 0.8641
703 S0H 0.8640
704 5WX 0.8640
705 BNS 0.8637
706 3GR 0.8636
707 QXW 0.8636
708 ODV 0.8632
709 40E 0.8630
710 1P3 0.8629
711 IPB 0.8627
712 3DM 0.8626
713 PXM 0.8622
714 HSM 0.8615
715 I1N 0.8613
716 GLA 0.8608
717 DIE 0.8605
718 FDB 0.8604
719 FQI 0.8603
720 BCF 0.8602
721 BBF 0.8600
722 V55 0.8595
723 WOO 0.8595
724 H42 0.8592
725 4M4 0.8589
726 32X 0.8584
727 G5V 0.8584
728 IBF 0.8580
729 7VJ 0.8580
730 HXX 0.8556
731 ALL 0.8555
732 MMU 0.8551
733 2H5 0.8542
734 IPZ 0.8520
Ligand no: 2; Ligand: LIO; 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 : 1DMH; Ligand: LIO; 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: 1dmh.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DMH; Ligand: LIO; 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: 1dmh.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1DMH; Ligand: MCT; 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: 1dmh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1DMH; Ligand: MCT; 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: 1dmh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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