Receptor
PDB id Resolution Class Description Source Keywords
6I6G 1.85 Å EC: 1.11.1.7 DEHALOPEROXIDASE B FROM AMPHITRITE ORNATA - COMPLEX WITH 5-B AMPHITRITE ORNATA 5-BROMOINDOLE PEROXIDASE GLOBIN OXIDOREDUCTASE
Ref.: HIGH-THROUGHPUT STRUCTURES OF PROTEIN-LIGAND COMPLE ROOM TEMPERATURE USING SERIAL FEMTOSECOND CRYSTALLO IUCRJ V. 6 1074 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:202;
A:203;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
HEM B:201;
A:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
H4N A:204;
B:202;
Valid;
Valid;
none;
none;
submit data
196.044 C8 H6 Br N c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CHR 1.98 Å EC: 1.11.1.7 DEHALOPEROXIDASE B IN COMPLEX WITH SUBSTRATE P-NITROCATECHOL AMPHITRITE ORNATA SUBSTRATE OXIDOREDUCTASE
Ref.: NONMICROBIAL NITROPHENOL DEGRADATION VIA PEROXYGENA ACTIVITY OF DEHALOPEROXIDASE-HEMOGLOBIN FROM AMPHIT ORNATA. BIOCHEMISTRY V. 55 2465 2016
Members (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6CRE Kd = 1745 uM F9G C7 H7 Br O2 COc1ccc(cc....
2 3LB3 Kd = 1.78 mM 4CH C6 H5 Cl O c1cc(ccc1O....
3 3LB1 Kd = 0.536 mM IOL C6 H5 I O c1cc(ccc1O....
4 4KMV - T6C C6 H3 Cl3 O c1c(cc(c(c....
5 6ONG Kd = 2970 uM MWM C7 H7 F O Cc1cc(ccc1....
6 6OO8 Kd = 79 uM PCI C6 H Cl5 O c1(c(c(c(c....
7 4FH7 Ki = 0.51 mM TBP C6 H3 Br3 O c1c(cc(c(c....
8 4FH6 - TBP C6 H3 Br3 O c1c(cc(c(c....
9 6CKE Kd = 374 uM 3Z7 C7 H7 Br O2 COc1cc(ccc....
10 6OO6 Kd = 2682 uM PCR C7 H8 O Cc1ccc(cc1....
11 6ONR Kd = 309 uM N0D C8 H10 O Cc1ccc(c(c....
12 4KMW - T6C C6 H3 Cl3 O c1c(cc(c(c....
13 3LB2 Kd = 1.15 mM BML C6 H5 Br O c1cc(ccc1O....
14 4HSX - BML C6 H5 Br O c1cc(ccc1O....
15 6CH5 Kd = 1341 uM F0M C7 H7 N O4 COc1cc(ccc....
16 5CHR Kd = 40 uM 4NC C6 H5 N O4 c1cc(c(cc1....
17 6CH6 - F0J C8 H10 O3 COc1ccc(c(....
18 4ILZ - TBP C6 H3 Br3 O c1c(cc(c(c....
19 6ONX Kd = 86 uM MWJ C7 H7 Br O Cc1cc(ccc1....
20 4KN3 - T6C C6 H3 Cl3 O c1c(cc(c(c....
21 6ONK Kd = 130 uM MZG C7 H7 Cl O Cc1cc(ccc1....
22 6I7F - 5JC C6 H4 Cl2 O c1cc(c(cc1....
23 5CHQ Kd = 262 uM NPO C6 H5 N O3 c1cc(ccc1[....
24 6CO5 Kd = 1332 uM F81 C7 H7 Br O2 COc1cccc(c....
25 6I6G - H4N C8 H6 Br N c1cc2c(cc[....
26 6ONZ Kd = 155 uM MYJ C7 H7 N O3 Cc1cc(ccc1....
27 6OO1 Kd = 4594 uM JZ0 C7 H8 O Cc1ccccc1O
28 3LB4 Kd = 3.72 mM FPN C6 H5 F O c1cc(ccc1O....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6CRE Kd = 1745 uM F9G C7 H7 Br O2 COc1ccc(cc....
2 3LB3 Kd = 1.78 mM 4CH C6 H5 Cl O c1cc(ccc1O....
3 3LB1 Kd = 0.536 mM IOL C6 H5 I O c1cc(ccc1O....
4 4KMV - T6C C6 H3 Cl3 O c1c(cc(c(c....
5 6ONG Kd = 2970 uM MWM C7 H7 F O Cc1cc(ccc1....
6 6OO8 Kd = 79 uM PCI C6 H Cl5 O c1(c(c(c(c....
7 4FH7 Ki = 0.51 mM TBP C6 H3 Br3 O c1c(cc(c(c....
8 4FH6 - TBP C6 H3 Br3 O c1c(cc(c(c....
9 6CKE Kd = 374 uM 3Z7 C7 H7 Br O2 COc1cc(ccc....
10 6OO6 Kd = 2682 uM PCR C7 H8 O Cc1ccc(cc1....
11 6ONR Kd = 309 uM N0D C8 H10 O Cc1ccc(c(c....
12 4KMW - T6C C6 H3 Cl3 O c1c(cc(c(c....
13 3LB2 Kd = 1.15 mM BML C6 H5 Br O c1cc(ccc1O....
14 4HSX - BML C6 H5 Br O c1cc(ccc1O....
15 6CH5 Kd = 1341 uM F0M C7 H7 N O4 COc1cc(ccc....
16 5CHR Kd = 40 uM 4NC C6 H5 N O4 c1cc(c(cc1....
17 6CH6 - F0J C8 H10 O3 COc1ccc(c(....
18 4ILZ - TBP C6 H3 Br3 O c1c(cc(c(c....
19 6ONX Kd = 86 uM MWJ C7 H7 Br O Cc1cc(ccc1....
20 4KN3 - T6C C6 H3 Cl3 O c1c(cc(c(c....
21 6ONK Kd = 130 uM MZG C7 H7 Cl O Cc1cc(ccc1....
22 6I7F - 5JC C6 H4 Cl2 O c1cc(c(cc1....
23 5CHQ Kd = 262 uM NPO C6 H5 N O3 c1cc(ccc1[....
24 6CO5 Kd = 1332 uM F81 C7 H7 Br O2 COc1cccc(c....
25 6I6G - H4N C8 H6 Br N c1cc2c(cc[....
26 6ONZ Kd = 155 uM MYJ C7 H7 N O3 Cc1cc(ccc1....
27 6OO1 Kd = 4594 uM JZ0 C7 H8 O Cc1ccccc1O
28 3LB4 Kd = 3.72 mM FPN C6 H5 F O c1cc(ccc1O....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6CRE Kd = 1745 uM F9G C7 H7 Br O2 COc1ccc(cc....
2 3LB3 Kd = 1.78 mM 4CH C6 H5 Cl O c1cc(ccc1O....
3 3LB1 Kd = 0.536 mM IOL C6 H5 I O c1cc(ccc1O....
4 4KMV - T6C C6 H3 Cl3 O c1c(cc(c(c....
5 6ONG Kd = 2970 uM MWM C7 H7 F O Cc1cc(ccc1....
6 6OO8 Kd = 79 uM PCI C6 H Cl5 O c1(c(c(c(c....
7 4FH7 Ki = 0.51 mM TBP C6 H3 Br3 O c1c(cc(c(c....
8 4FH6 - TBP C6 H3 Br3 O c1c(cc(c(c....
9 6CKE Kd = 374 uM 3Z7 C7 H7 Br O2 COc1cc(ccc....
10 6OO6 Kd = 2682 uM PCR C7 H8 O Cc1ccc(cc1....
11 6ONR Kd = 309 uM N0D C8 H10 O Cc1ccc(c(c....
12 4KMW - T6C C6 H3 Cl3 O c1c(cc(c(c....
13 3LB2 Kd = 1.15 mM BML C6 H5 Br O c1cc(ccc1O....
14 4HSX - BML C6 H5 Br O c1cc(ccc1O....
15 6CH5 Kd = 1341 uM F0M C7 H7 N O4 COc1cc(ccc....
16 5CHR Kd = 40 uM 4NC C6 H5 N O4 c1cc(c(cc1....
17 6CH6 - F0J C8 H10 O3 COc1ccc(c(....
18 4ILZ - TBP C6 H3 Br3 O c1c(cc(c(c....
19 6ONX Kd = 86 uM MWJ C7 H7 Br O Cc1cc(ccc1....
20 4KN3 - T6C C6 H3 Cl3 O c1c(cc(c(c....
21 6ONK Kd = 130 uM MZG C7 H7 Cl O Cc1cc(ccc1....
22 6I7F - 5JC C6 H4 Cl2 O c1cc(c(cc1....
23 5CHQ Kd = 262 uM NPO C6 H5 N O3 c1cc(ccc1[....
24 6CO5 Kd = 1332 uM F81 C7 H7 Br O2 COc1cccc(c....
25 6I6G - H4N C8 H6 Br N c1cc2c(cc[....
26 6ONZ Kd = 155 uM MYJ C7 H7 N O3 Cc1cc(ccc1....
27 6OO1 Kd = 4594 uM JZ0 C7 H8 O Cc1ccccc1O
28 3LB4 Kd = 3.72 mM FPN C6 H5 F O c1cc(ccc1O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: H4N; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 H4N 1 1
2 5MI 0.461538 0.75
3 11S 0.461538 0.9
4 14O 0.45 0.9
5 FK1 0.439024 1
Similar Ligands (3D)
Ligand no: 1; Ligand: H4N; Similar ligands found: 1150
No: Ligand Similarity coefficient
1 8NY 1.0000
2 ES9 1.0000
3 5MB 0.9969
4 6AI 0.9961
5 BZX 0.9954
6 F60 0.9944
7 2K4 0.9934
8 5H1 0.9931
9 JAE 0.9875
10 VGD 0.9815
11 4FS 0.9796
12 H42 0.9794
13 JB5 0.9788
14 36R 0.9774
15 RM1 0.9771
16 BZ3 0.9769
17 2AQ 0.9766
18 ES5 0.9764
19 03V 0.9764
20 CLW 0.9761
21 1P8 0.9755
22 COU 0.9752
23 MR1 0.9745
24 ES2 0.9743
25 1P7 0.9742
26 5OB 0.9729
27 5B1 0.9727
28 F9Y 0.9720
29 5XC 0.9716
30 ABV 0.9703
31 ET2 0.9702
32 5VM 0.9689
33 OCH 0.9688
34 AHR 0.9688
35 QWN 0.9678
36 NPO 0.9676
37 DEN 0.9671
38 5WV 0.9664
39 BOA 0.9662
40 1XM 0.9654
41 1PT 0.9641
42 XQ0 0.9635
43 BZI 0.9634
44 9DG 0.9634
45 PHB 0.9633
46 0CT 0.9629
47 BZF 0.9627
48 6GU 0.9626
49 IND 0.9625
50 DMD 0.9621
51 7W4 0.9620
52 6M9 0.9619
53 QXW 0.9617
54 YH7 0.9615
55 0CU 0.9614
56 4JP 0.9613
57 2MI 0.9609
58 QUZ 0.9608
59 I3A 0.9607
60 0RW 0.9607
61 BCP 0.9603
62 GLC 0.9603
63 67N 0.9602
64 AX7 0.9602
65 6AP 0.9602
66 GUN 0.9601
67 LZ1 0.9600
68 XAN 0.9598
69 TH7 0.9597
70 AZG 0.9595
71 M1A 0.9595
72 XYP 0.9592
73 3ID 0.9591
74 GVH 0.9589
75 0R1 0.9589
76 14J 0.9589
77 AZA 0.9587
78 A2F 0.9586
79 7HQ 0.9585
80 K2T 0.9585
81 JA8 0.9582
82 NPY 0.9581
83 ISN 0.9580
84 8GC 0.9577
85 MPI 0.9574
86 RSF 0.9572
87 270 0.9565
88 2BG 0.9565
89 PAB 0.9565
90 LZM 0.9564
91 HMH 0.9564
92 42A 0.9555
93 HH5 0.9552
94 8ZE 0.9548
95 1DW 0.9548
96 2HQ 0.9544
97 141 0.9544
98 ISZ 0.9543
99 F05 0.9542
100 9EW 0.9542
101 Z82 0.9542
102 717 0.9539
103 DX4 0.9538
104 FBB 0.9538
105 OAA 0.9537
106 ES7 0.9529
107 MCT 0.9529
108 8H8 0.9528
109 174 0.9528
110 IGA 0.9526
111 27Y 0.9526
112 IDM 0.9523
113 BGC 0.9523
114 KKN 0.9518
115 6M4 0.9517
116 NOJ 0.9517
117 FQI 0.9516
118 FYU 0.9513
119 XIY 0.9512
120 5JC 0.9510
121 4JT 0.9510
122 MZG 0.9510
123 HBD 0.9509
124 NMJ 0.9506
125 MWJ 0.9501
126 5JQ 0.9500
127 BEZ 0.9498
128 BHO 0.9497
129 HBA 0.9495
130 4CS 0.9495
131 MEW 0.9494
132 4HO 0.9493
133 BEN 0.9493
134 1Y6 0.9493
135 TH0 0.9488
136 LXC 0.9488
137 4CL 0.9481
138 BR9 0.9477
139 290 0.9475
140 4M0 0.9474
141 NCA 0.9474
142 5UC 0.9472
143 SVN 0.9472
144 1M2 0.9471
145 NIZ 0.9471
146 3NT 0.9470
147 Q24 0.9468
148 2CK 0.9468
149 AZ8 0.9467
150 CFP 0.9466
151 3F0 0.9466
152 YCP 0.9462
153 XQG 0.9461
154 NBZ 0.9460
155 3AB 0.9459
156 PE0 0.9456
157 I1E 0.9456
158 FA0 0.9456
159 4JJ 0.9454
160 TDR 0.9453
161 WCE 0.9450
162 0JD 0.9449
163 GAB 0.9449
164 XM0 0.9449
165 KDV 0.9447
166 JBE 0.9447
167 5CU 0.9446
168 1MC 0.9446
169 6PC 0.9443
170 XBT 0.9442
171 5NU 0.9440
172 M5K 0.9440
173 KOJ 0.9440
174 N2I 0.9439
175 KUF 0.9439
176 NK 0.9437
177 BAM 0.9436
178 E5X 0.9435
179 4MA 0.9433
180 HLR 0.9432
181 SAL 0.9432
182 NIO 0.9431
183 4XR 0.9431
184 IUR 0.9429
185 5HN 0.9429
186 AQO 0.9428
187 HMU 0.9428
188 SKA 0.9427
189 TTL 0.9426
190 NSP 0.9426
191 3HB 0.9424
192 PNZ 0.9424
193 OVV 0.9421
194 2CQ 0.9421
195 4VP 0.9421
196 JZ9 0.9420
197 SYV 0.9417
198 PZA 0.9417
199 4JU 0.9417
200 3M0 0.9414
201 CWS 0.9413
202 XAZ 0.9412
203 HPA 0.9411
204 MWM 0.9411
205 URF 0.9410
206 AC0 0.9410
207 0R0 0.9408
208 XBZ 0.9408
209 4HM 0.9408
210 75K 0.9406
211 WBU 0.9406
212 BHA 0.9405
213 4ZE 0.9405
214 CTL 0.9405
215 DOB 0.9404
216 PBZ 0.9404
217 24B 0.9403
218 IDH 0.9400
219 7W1 0.9399
220 BRT 0.9398
221 54D 0.9398
222 3U4 0.9397
223 KJU 0.9397
224 4JM 0.9393
225 0TU 0.9392
226 3BZ 0.9391
227 4JO 0.9391
228 3PF 0.9391
229 GCS 0.9391
230 53C 0.9390
231 M1E 0.9389
232 43M 0.9389
233 ES6 0.9387
234 JZ2 0.9387
235 Q88 0.9387
236 826 0.9387
237 GTQ 0.9386
238 5QY 0.9386
239 BE2 0.9384
240 AJ2 0.9382
241 URC 0.9382
242 BSX 0.9381
243 HQT 0.9380
244 CWM 0.9380
245 G3E 0.9380
246 4BZ 0.9380
247 MRW 0.9379
248 ADE 0.9379
249 JZ3 0.9378
250 UNU 0.9378
251 TSS 0.9378
252 4SV 0.9377
253 DBH 0.9377
254 MLT 0.9377
255 86J 0.9376
256 5MH 0.9375
257 5RG 0.9374
258 10L 0.9372
259 P72 0.9372
260 2AC 0.9371
261 4HC 0.9371
262 G3F 0.9371
263 2MH 0.9370
264 5JL 0.9368
265 A7W 0.9365
266 NTN 0.9365
267 OVM 0.9363
268 PXL 0.9363
269 2EC 0.9363
270 FDB 0.9360
271 CFI 0.9360
272 FE DB1 0.9359
273 3MB 0.9358
274 2YU 0.9356
275 SX1 0.9355
276 B55 0.9354
277 1WG 0.9354
278 MQN 0.9353
279 7B4 0.9352
280 3HA 0.9351
281 54G 0.9350
282 HQY 0.9350
283 4YO 0.9350
284 ZZT 0.9350
285 45C 0.9346
286 BP1 0.9345
287 12Q 0.9345
288 ADZ 0.9344
289 KJH 0.9344
290 7WA 0.9343
291 9DA 0.9343
292 275 0.9342
293 BTY 0.9341
294 150 0.9340
295 PBC 0.9339
296 173 0.9339
297 5M0 0.9338
298 5QX 0.9338
299 ZBT 0.9338
300 5SG 0.9336
301 P92 0.9336
302 PKU 0.9336
303 XYD 0.9335
304 ICP 0.9334
305 6MP 0.9334
306 F81 0.9334
307 4HS 0.9334
308 CWJ 0.9333
309 SW7 0.9332
310 PEA 0.9332
311 PYD 0.9330
312 G6D 0.9330
313 VGL 0.9329
314 TPA 0.9329
315 5IQ 0.9328
316 5Q0 0.9327
317 H8N 0.9327
318 6CS 0.9326
319 EA1 0.9325
320 OW4 0.9325
321 0P6 0.9324
322 ES4 0.9324
323 A1U 0.9323
324 6NT 0.9323
325 82I 0.9323
326 Y8I 0.9321
327 LG4 0.9321
328 1SQ 0.9320
329 5GU 0.9318
330 5RN 0.9317
331 QOS 0.9316
332 J1Z 0.9316
333 261 0.9316
334 D48 0.9315
335 5MK 0.9314
336 BE7 0.9314
337 J5I 0.9314
338 7HP 0.9312
339 PM6 0.9312
340 2MP 0.9310
341 N5J 0.9310
342 ANN 0.9307
343 7CZ 0.9307
344 4AA 0.9305
345 HQE 0.9305
346 1LQ 0.9304
347 4YS 0.9303
348 9HX 0.9302
349 34A 0.9302
350 4JQ 0.9301
351 ES0 0.9298
352 GBD 0.9298
353 23A 0.9298
354 DIN 0.9296
355 BML 0.9296
356 OVP 0.9296
357 DHR 0.9295
358 4FA 0.9294
359 2ZM 0.9292
360 IV2 0.9290
361 SWD 0.9289
362 JAW 0.9289
363 3DM 0.9287
364 9MG 0.9287
365 1F1 0.9286
366 QBK 0.9286
367 CRS 0.9285
368 PCR 0.9283
369 SE2 0.9282
370 0TR 0.9282
371 B53 0.9282
372 DHB 0.9281
373 8S0 0.9281
374 HT4 0.9280
375 SS1 0.9280
376 4ZC 0.9279
377 8CM 0.9277
378 0HO 0.9277
379 PLQ 0.9276
380 PRO 0.9275
381 94W 0.9273
382 M58 0.9273
383 ABI 0.9272
384 3OC 0.9272
385 FPY 0.9271
386 3NY 0.9270
387 ASO 0.9270
388 2HU 0.9269
389 PXY 0.9269
390 0HN 0.9268
391 FAN 0.9268
392 TM7 0.9267
393 RHU 0.9267
394 HIS 0.9267
395 25R 0.9265
396 AMC 0.9265
397 GAG 0.9264
398 BTE 0.9264
399 JLZ 0.9262
400 3XX 0.9260
401 1NP 0.9259
402 9R5 0.9259
403 2D0 0.9257
404 6RQ 0.9257
405 IOL 0.9257
406 ES1 0.9256
407 FP1 0.9256
408 4JN 0.9256
409 DA1 0.9256
410 2PC 0.9256
411 8TX 0.9254
412 1WD 0.9253
413 BPN 0.9253
414 4P5 0.9250
415 JKE 0.9247
416 O72 0.9247
417 FBM 0.9245
418 YRL 0.9245
419 IT2 0.9245
420 4NC 0.9244
421 F9P 0.9244
422 SHA 0.9244
423 6NI 0.9243
424 1DV 0.9243
425 8WT 0.9242
426 JDN 0.9240
427 F4Z 0.9239
428 4CH 0.9239
429 4XH 0.9238
430 JPZ 0.9238
431 OXQ 0.9238
432 R8V 0.9238
433 PYC 0.9236
434 HY3 0.9235
435 AEF 0.9234
436 HGQ 0.9233
437 FPN 0.9231
438 3Z7 0.9229
439 60P 0.9228
440 XYS 0.9228
441 3A9 0.9227
442 OK7 0.9227
443 ICO 0.9227
444 5NI 0.9226
445 7VS 0.9226
446 TP5 0.9225
447 FOA 0.9225
448 24W 0.9224
449 B57 0.9222
450 GAL 0.9222
451 TC7 0.9221
452 XX2 0.9220
453 P9P 0.9219
454 EUG 0.9219
455 RCO 0.9218
456 2LP 0.9218
457 259 0.9217
458 7MU 0.9216
459 3Z8 0.9216
460 AC6 0.9216
461 7WV 0.9215
462 PZI 0.9215
463 MYJ 0.9213
464 3HM 0.9210
465 M0Q 0.9207
466 51R 0.9207
467 284 0.9206
468 8IG 0.9205
469 QSC 0.9205
470 INO 0.9204
471 HHQ 0.9204
472 FBA 0.9202
473 HEW 0.9201
474 HHA 0.9200
475 BCU 0.9197
476 5AC 0.9196
477 LT2 0.9196
478 SYN 0.9195
479 8WO 0.9195
480 B3R 0.9194
481 4A3 0.9192
482 4JL 0.9192
483 IFL 0.9190
484 3CH 0.9188
485 PY7 0.9188
486 1DU 0.9187
487 DYA 0.9185
488 PCA 0.9184
489 HX3 0.9182
490 282 0.9180
491 M2K 0.9179
492 CYT 0.9177
493 SOE 0.9176
494 KT7 0.9175
495 URA 0.9175
496 N8Y 0.9173
497 HH8 0.9173
498 HBX 0.9170
499 C21 0.9170
500 OTR 0.9169
501 25W 0.9169
502 TLD 0.9168
503 URP 0.9168
504 JBK 0.9167
505 1P3 0.9167
506 M3T 0.9161
507 NNO 0.9160
508 RSO 0.9160
509 93K 0.9159
510 QWW 0.9159
511 9TZ 0.9157
512 EQT 0.9156
513 ABN 0.9155
514 FUL 0.9155
515 286 0.9154
516 FPI 0.9153
517 JBH 0.9152
518 FHB 0.9152
519 JZ5 0.9152
520 MZW 0.9151
521 2A9 0.9150
522 MWP 0.9150
523 ODO 0.9150
524 C2B 0.9148
525 BVF 0.9146
526 XRG 0.9146
527 R9Y 0.9146
528 TZC 0.9144
529 LG3 0.9144
530 J9T 0.9142
531 4NM 0.9141
532 NDH 0.9140
533 TSU 0.9140
534 B62 0.9140
535 M4T 0.9139
536 V55 0.9138
537 FUC 0.9138
538 3ZQ 0.9136
539 1LM 0.9135
540 JBN 0.9135
541 2HO 0.9134
542 FCR 0.9131
543 QX2 0.9130
544 6VD 0.9130
545 DGJ 0.9130
546 GYE 0.9129
547 4WL 0.9126
548 SMV 0.9126
549 DRL 0.9125
550 PYG 0.9125
551 TIU 0.9124
552 L3Q 0.9123
553 G5V 0.9122
554 3DO 0.9121
555 F0J 0.9120
556 VNJ 0.9120
557 HDH 0.9116
558 LG5 0.9115
559 PYF 0.9115
560 273 0.9113
561 HLZ 0.9112
562 XHP 0.9110
563 AZ9 0.9110
564 J6W 0.9108
565 RIP 0.9107
566 M0W 0.9106
567 4H2 0.9105
568 JAB 0.9104
569 P3K 0.9104
570 DBX 0.9104
571 M2H 0.9103
572 T6C 0.9103
573 265 0.9101
574 CHB 0.9100
575 PHU 0.9100
576 MUA 0.9100
577 C2A 0.9098
578 OHG 0.9097
579 3SK 0.9097
580 AKG 0.9096
581 8OZ 0.9094
582 7WG 0.9093
583 0W8 0.9093
584 SN4 0.9091
585 DFB 0.9090
586 1XN 0.9087
587 0MK 0.9087
588 26D 0.9086
589 LMR 0.9086
590 MS9 0.9085
591 DFU 0.9084
592 E7Z 0.9080
593 GXY 0.9080
594 44W 0.9079
595 CIG 0.9077
596 K34 0.9076
597 GRE 0.9074
598 DQU 0.9074
599 MAE 0.9074
600 DIU 0.9073
601 ARB 0.9072
602 6F0 0.9071
603 OTW 0.9070
604 3R6 0.9069
605 8GF 0.9067
606 ECE 0.9067
607 PZM 0.9066
608 G2F 0.9066
609 SR1 0.9064
610 9TW 0.9063
611 42C 0.9063
612 LDP 0.9062
613 3CE 0.9061
614 IPB 0.9060
615 WOT 0.9060
616 35C 0.9059
617 AGK 0.9057
618 9FL 0.9056
619 PBA 0.9054
620 PRZ 0.9054
621 2ZV 0.9053
622 MO8 0.9053
623 3FH 0.9053
624 SAN 0.9053
625 J9Q 0.9053
626 6MH 0.9051
627 9ZE 0.9050
628 OXE 0.9050
629 TM4 0.9048
630 15E 0.9048
631 GIF 0.9048
632 3MC 0.9047
633 6M1 0.9047
634 M1H 0.9047
635 NQ 0.9046
636 2AK 0.9045
637 6X8 0.9045
638 AJV 0.9044
639 UNC 0.9044
640 MNM 0.9044
641 4ZA 0.9043
642 MAK 0.9042
643 268 0.9041
644 0FO 0.9041
645 E1T 0.9040
646 CAQ 0.9040
647 XUL 0.9039
648 VK3 0.9038
649 ASP 0.9038
650 IHB 0.9037
651 2CH 0.9037
652 4Z4 0.9036
653 QX4 0.9036
654 2H5 0.9036
655 HQD 0.9035
656 7NI 0.9034
657 F5B 0.9034
658 IFP 0.9034
659 BDP 0.9034
660 MBD 0.9033
661 15N 0.9031
662 TGX 0.9030
663 NBE 0.9029
664 PQ0 0.9029
665 KJY 0.9028
666 2CM 0.9026
667 DE5 0.9019
668 92K 0.9019
669 RIB 0.9018
670 2FG 0.9018
671 SRT 0.9017
672 5WX 0.9016
673 JIF 0.9016
674 3FA 0.9015
675 TLA 0.9014
676 VNL 0.9014
677 BEW 0.9013
678 32X 0.9013
679 L89 0.9013
680 LGC 0.9011
681 CXF 0.9011
682 RB5 0.9010
683 4M4 0.9009
684 NOY 0.9008
685 KIV 0.9007
686 HA5 0.9006
687 GIO 0.9006
688 DHQ 0.9004
689 2C9 0.9003
690 LDU 0.9003
691 M6W 0.9002
692 JBQ 0.9002
693 J9W 0.9001
694 1MR 0.9001
695 DBJ 0.9000
696 2FY 0.8999
697 5RO 0.8999
698 DUC 0.8999
699 HSM 0.8998
700 M1Q 0.8997
701 Q6T 0.8996
702 3WA 0.8996
703 0FN 0.8995
704 23W 0.8994
705 BZ2 0.8994
706 GLA 0.8994
707 40O 0.8993
708 GMN 0.8992
709 JZ1 0.8992
710 HQJ 0.8992
711 69O 0.8991
712 DIE 0.8991
713 H76 0.8991
714 PRY 0.8990
715 UAN 0.8989
716 258 0.8988
717 PEL 0.8988
718 FFP 0.8987
719 TMZ 0.8987
720 EKZ 0.8987
721 QSB 0.8986
722 OXC 0.8986
723 BP9 0.8986
724 4ME 0.8985
725 IFM 0.8985
726 UY7 0.8983
727 CTS 0.8981
728 SHG 0.8981
729 ESP 0.8979
730 XXR 0.8979
731 97T 0.8978
732 AZF 0.8978
733 9FE 0.8977
734 4MU 0.8976
735 2MY 0.8975
736 938 0.8975
737 TBP 0.8972
738 PRF 0.8972
739 C2U 0.8972
740 069 0.8971
741 JZ4 0.8971
742 HIO 0.8970
743 3RK 0.8970
744 280 0.8970
745 2AL 0.8969
746 RXA 0.8967
747 7MH 0.8966
748 DUB 0.8966
749 FBS 0.8965
750 44V 0.8965
751 B60 0.8964
752 K17 0.8964
753 2DR 0.8964
754 DEE 0.8963
755 RAM 0.8963
756 FLM 0.8962
757 INE 0.8961
758 AAS 0.8961
759 GZL 0.8961
760 OXZ 0.8960
761 42J 0.8960
762 92Z 0.8959
763 ABE 0.8959
764 PDC 0.8958
765 FBV 0.8957
766 1AN 0.8955
767 TFB 0.8955
768 F31 0.8955
769 JFD 0.8954
770 MVN 0.8954
771 93Q 0.8954
772 IF7 0.8952
773 FCA 0.8950
774 HTS 0.8949
775 9X7 0.8947
776 T9G 0.8946
777 NDM 0.8944
778 S76 0.8944
779 0N7 0.8943
780 8K2 0.8942
781 8LG 0.8941
782 1DQ 0.8941
783 DMG 0.8941
784 KYD 0.8940
785 XCZ 0.8939
786 AKH 0.8938
787 GAF 0.8938
788 149 0.8938
789 9CL 0.8937
790 TEP 0.8936
791 ORO 0.8936
792 ADK 0.8934
793 9CA 0.8934
794 TEO 0.8933
795 L99 0.8933
796 LCN 0.8931
797 MT0 0.8930
798 3MH 0.8929
799 A29 0.8928
800 EYK 0.8926
801 FB2 0.8926
802 E7S 0.8925
803 PD2 0.8924
804 RMN 0.8923
805 HSO 0.8920
806 R9S 0.8919
807 MXN 0.8917
808 FBJ 0.8917
809 MLA 0.8917
810 K5W 0.8916
811 39A 0.8915
812 FP2 0.8914
813 92P 0.8914
814 MAQ 0.8913
815 2AF 0.8913
816 RD4 0.8913
817 M6N 0.8912
818 2A7 0.8912
819 HJP 0.8911
820 F4E 0.8910
821 SLS 0.8910
822 JXN 0.8910
823 HYP 0.8909
824 1SA 0.8909
825 37T 0.8908
826 ICB 0.8907
827 MLI 0.8907
828 ALL 0.8907
829 LKA 0.8906
830 SWA 0.8904
831 6KT 0.8901
832 TBS 0.8900
833 GOO 0.8900
834 BEA 0.8899
835 H3M 0.8899
836 FB1 0.8898
837 6ME 0.8897
838 BNF 0.8897
839 76X 0.8894
840 HZQ 0.8892
841 4TU 0.8892
842 FBW 0.8892
843 K8X 0.8891
844 2F6 0.8891
845 HPY 0.8891
846 D07 0.8890
847 WOO 0.8888
848 FRU 0.8888
849 4J8 0.8887
850 25T 0.8887
851 TTY 0.8887
852 495 0.8886
853 IAC 0.8884
854 FOT 0.8883
855 DNF 0.8883
856 X05 0.8883
857 3MA 0.8882
858 6FZ 0.8882
859 P2D 0.8882
860 EXO 0.8882
861 1IT 0.8881
862 PRS 0.8880
863 SRO 0.8880
864 ESX 0.8877
865 ICC 0.8876
866 APZ 0.8875
867 TMT 0.8872
868 5WY 0.8872
869 3IT 0.8872
870 JND 0.8872
871 94N 0.8871
872 4XX 0.8871
873 GXL 0.8870
874 X0V 0.8867
875 HSE 0.8866
876 PYQ 0.8864
877 AMH 0.8863
878 X6X 0.8863
879 TAR 0.8862
880 TYL 0.8861
881 MAN 0.8860
882 KBB 0.8859
883 MRZ 0.8858
884 NID 0.8857
885 AW5 0.8857
886 1DH 0.8857
887 G4D 0.8857
888 RBL 0.8856
889 DHK 0.8856
890 YTB 0.8855
891 PMB 0.8854
892 ZZ3 0.8854
893 BDF 0.8853
894 JZ0 0.8852
895 Z6J 0.8851
896 APY 0.8851
897 34D 0.8850
898 9YL 0.8848
899 52C 0.8848
900 7N0 0.8847
901 DOR 0.8847
902 XYL 0.8845
903 PAC 0.8845
904 YHO 0.8845
905 KIA 0.8842
906 KIB 0.8842
907 PAF 0.8840
908 DMJ 0.8840
909 QPR 0.8839
910 YAN 0.8836
911 A13 0.8835
912 7ZE 0.8832
913 KYA 0.8832
914 GDE 0.8832
915 SNO 0.8832
916 FUF 0.8832
917 E60 0.8831
918 RNO 0.8831
919 8W9 0.8830
920 HXX 0.8830
921 PXM 0.8830
922 2ZQ 0.8829
923 IP0 0.8828
924 BMA 0.8828
925 PEP 0.8825
926 8G0 0.8823
927 9TY 0.8823
928 R2B 0.8823
929 7ME 0.8819
930 CEE 0.8819
931 6LW 0.8814
932 VAL 0.8814
933 MSR 0.8814
934 COI 0.8811
935 R8A 0.8811
936 3SL 0.8811
937 X09 0.8810
938 M4E 0.8806
939 IJZ 0.8805
940 BK9 0.8804
941 PHE 0.8804
942 C2Y 0.8803
943 BNS 0.8802
944 PA1 0.8801
945 3V4 0.8798
946 DS0 0.8797
947 P4B 0.8796
948 SIN 0.8796
949 FLA 0.8795
950 UEG 0.8789
951 FDK 0.8788
952 AL0 0.8782
953 F12 0.8780
954 MAJ 0.8780
955 6UA 0.8780
956 ITN 0.8778
957 FA1 0.8778
958 SXS 0.8777
959 DHS 0.8776
960 PIY 0.8773
961 428 0.8771
962 2KT 0.8770
963 CEJ 0.8769
964 ESI 0.8769
965 1AL 0.8768
966 IPH 0.8768
967 SS2 0.8767
968 27B 0.8763
969 4JC 0.8763
970 CLZ 0.8762
971 1XX 0.8762
972 4FH 0.8761
973 MFB 0.8761
974 RNS 0.8760
975 LNR 0.8760
976 C5J 0.8759
977 CPZ 0.8759
978 LYL 0.8758
979 GJP 0.8756
980 FGZ 0.8756
981 A2Q 0.8756
982 FH2 0.8755
983 5XB 0.8754
984 TZF 0.8753
985 24T 0.8751
986 AFR 0.8750
987 3PY 0.8750
988 D1X 0.8749
989 PH2 0.8747
990 TT4 0.8745
991 RPQ 0.8743
992 NVI 0.8743
993 OW7 0.8742
994 329 0.8742
995 LSA 0.8741
996 G3P 0.8741
997 G3H 0.8741
998 HHR 0.8740
999 J9N 0.8739
1000 ASN 0.8739
1001 L5V 0.8737
1002 9PO 0.8734
1003 APG 0.8734
1004 2XX 0.8733
1005 GXE 0.8733
1006 BCF 0.8730
1007 AAE 0.8730
1008 ASC 0.8730
1009 FUM 0.8730
1010 BBF 0.8729
1011 4NB 0.8728
1012 FPK 0.8728
1013 PEY 0.8727
1014 KBG 0.8727
1015 5ZE 0.8727
1016 SNU 0.8727
1017 IBF 0.8726
1018 HYN 0.8726
1019 IWT 0.8725
1020 ZYR 0.8725
1021 HRZ 0.8724
1022 2AP 0.8723
1023 1HN 0.8722
1024 QY9 0.8722
1025 I3E 0.8722
1026 MBN 0.8721
1027 8XL 0.8721
1028 4RU 0.8719
1029 GJZ 0.8718
1030 4VY 0.8718
1031 NF3 0.8716
1032 3AP 0.8716
1033 HCS 0.8716
1034 URQ 0.8716
1035 7B3 0.8715
1036 YPN 0.8715
1037 CFF 0.8715
1038 0F9 0.8714
1039 0FK 0.8712
1040 3AY 0.8711
1041 M4S 0.8710
1042 23J 0.8710
1043 1AB 0.8707
1044 13X 0.8707
1045 5CL 0.8704
1046 ALO 0.8703
1047 TOF 0.8703
1048 3QV 0.8703
1049 OKG 0.8702
1050 K32 0.8701
1051 2FQ 0.8698
1052 AX2 0.8698
1053 DA4 0.8696
1054 4AP 0.8695
1055 KG7 0.8695
1056 PHH 0.8694
1057 FBT 0.8694
1058 0LH 0.8693
1059 CN0 0.8693
1060 2HC 0.8691
1061 12B 0.8690
1062 HVK 0.8690
1063 OA3 0.8690
1064 SMN 0.8689
1065 9RW 0.8689
1066 EV0 0.8688
1067 KMT 0.8686
1068 EN1 0.8685
1069 4XV 0.8684
1070 2ZX 0.8684
1071 9KT 0.8683
1072 LQ2 0.8682
1073 39O 0.8681
1074 680 0.8678
1075 HFB 0.8676
1076 JYB 0.8676
1077 ZXD 0.8672
1078 SD4 0.8672
1079 8HC 0.8671
1080 BZJ 0.8671
1081 WDL 0.8670
1082 TWO 0.8670
1083 XLS 0.8666
1084 HGW 0.8666
1085 4XS 0.8665
1086 PBE 0.8663
1087 5LA 0.8663
1088 JG8 0.8662
1089 BSP 0.8661
1090 6HQ 0.8659
1091 LGA 0.8657
1092 BR8 0.8656
1093 SJ5 0.8656
1094 YSO 0.8656
1095 Z5P 0.8656
1096 TTO 0.8653
1097 45L 0.8651
1098 K6X 0.8651
1099 JTH 0.8650
1100 XIX 0.8642
1101 F3B 0.8642
1102 TZE 0.8635
1103 DQN 0.8634
1104 PIH 0.8633
1105 Q02 0.8633
1106 0W1 0.8630
1107 UNJ 0.8629
1108 H33 0.8628
1109 209 0.8628
1110 F1A 0.8628
1111 LI6 0.8625
1112 4BL 0.8623
1113 QSH 0.8622
1114 R67 0.8621
1115 H7Y 0.8621
1116 GLT 0.8620
1117 K22 0.8617
1118 AHB 0.8615
1119 8CL 0.8615
1120 5AN 0.8615
1121 JB8 0.8614
1122 SF9 0.8613
1123 KPL 0.8611
1124 JUG 0.8609
1125 ERH 0.8607
1126 FDR 0.8607
1127 KTW 0.8603
1128 VOH 0.8602
1129 2KA 0.8588
1130 AEH 0.8586
1131 PCI 0.8583
1132 HHN 0.8583
1133 ARW 0.8579
1134 O7U 0.8575
1135 FK8 0.8571
1136 NYL 0.8570
1137 G1O 0.8569
1138 948 0.8560
1139 AJY 0.8557
1140 A7H 0.8556
1141 12M 0.8547
1142 NTM 0.8544
1143 QMP 0.8540
1144 ZVO 0.8538
1145 HDA 0.8530
1146 40E 0.8528
1147 2O6 0.8521
1148 TCZ 0.8517
1149 SNE 0.8512
1150 EVF 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CHR; Ligand: 4NC; 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: 5chr.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CHR; Ligand: 4NC; 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: 5chr.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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