Receptor
PDB id Resolution Class Description Source Keywords
4UXM 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF STRUTHIOCALCIN-1, A DIFFERENT CRYSTAL F STRUTHIO CAMELUS STRUCTURAL PROTEIN
Ref.: CRYSTAL STRUCTURE OF STRUTHIOCALCIN-1, AN INTRAMINE PROTEIN FROM STRUTHIO CAMELUS EGGSHELL, IN TWO DIFF CRYSTAL FORMS. ACTA CRYSTALLOGR.,SECT.D V. 71 809 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BE7 A:1133;
Valid;
none;
submit data
357.156 C7 H5 Cl Hg O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UXM 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF STRUTHIOCALCIN-1, A DIFFERENT CRYSTAL F STRUTHIO CAMELUS STRUCTURAL PROTEIN
Ref.: CRYSTAL STRUCTURE OF STRUTHIOCALCIN-1, AN INTRAMINE PROTEIN FROM STRUTHIO CAMELUS EGGSHELL, IN TWO DIFF CRYSTAL FORMS. ACTA CRYSTALLOGR.,SECT.D V. 71 809 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4UXM - BE7 C7 H5 Cl Hg O2 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4UXM - BE7 C7 H5 Cl Hg O2 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4UXM - BE7 C7 H5 Cl Hg O2 c1cc(ccc1C....
2 1JZN Ki = 80 uM BGC GAL n/a n/a
3 1MUQ - GAL C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BE7; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 BE7 1 1
2 HGB 0.6 0.666667
3 174 0.483871 0.684211
4 MBO 0.4375 0.764706
5 Z82 0.4375 0.6
6 1Y6 0.4375 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: BE7; Similar ligands found: 629
No: Ligand Similarity coefficient
1 BEN 1.0000
2 NBZ 1.0000
3 UNU 1.0000
4 YCP 1.0000
5 SS1 1.0000
6 PBC 1.0000
7 NTN 1.0000
8 NIO 1.0000
9 6PC 1.0000
10 BEZ 1.0000
11 NCA 1.0000
12 BAM 1.0000
13 VGL 0.9999
14 AC0 0.9987
15 PZA 0.9969
16 FOA 0.9904
17 IT2 0.9887
18 TP5 0.9868
19 PRO 0.9846
20 C21 0.9843
21 QSC 0.9809
22 TZC 0.9799
23 273 0.9790
24 PYC 0.9783
25 2PC 0.9775
26 DEN 0.9775
27 PHB 0.9770
28 SAL 0.9765
29 265 0.9761
30 NPO 0.9759
31 JBN 0.9753
32 SMV 0.9743
33 8GC 0.9733
34 RSO 0.9723
35 IND 0.9719
36 BE2 0.9713
37 BZI 0.9711
38 OAA 0.9710
39 4CS 0.9710
40 HBD 0.9710
41 BZF 0.9701
42 LZ1 0.9700
43 M58 0.9697
44 1PT 0.9696
45 OXQ 0.9684
46 3AB 0.9680
47 GAB 0.9678
48 JAB 0.9666
49 PAB 0.9660
50 AMC 0.9659
51 3HB 0.9653
52 0CT 0.9652
53 IDM 0.9647
54 PY7 0.9644
55 MPI 0.9641
56 JBE 0.9641
57 BHO 0.9636
58 53C 0.9636
59 4SV 0.9636
60 GVH 0.9634
61 3NT 0.9629
62 QUZ 0.9629
63 0R1 0.9627
64 282 0.9627
65 MLT 0.9625
66 FPI 0.9619
67 5HN 0.9616
68 PBZ 0.9613
69 HBX 0.9611
70 JKE 0.9611
71 CFI 0.9610
72 ISZ 0.9610
73 NPY 0.9608
74 4MA 0.9607
75 JZ5 0.9607
76 6M9 0.9604
77 826 0.9603
78 GAG 0.9596
79 FAN 0.9594
80 NMJ 0.9591
81 7WV 0.9590
82 ES6 0.9589
83 WCE 0.9577
84 BRT 0.9576
85 XM0 0.9576
86 HY3 0.9576
87 SYN 0.9575
88 1WD 0.9570
89 PYF 0.9565
90 OVV 0.9559
91 SVN 0.9553
92 ABN 0.9551
93 P72 0.9545
94 TPA 0.9539
95 1DU 0.9539
96 AC6 0.9537
97 AX7 0.9537
98 FB2 0.9535
99 14J 0.9533
100 GBD 0.9531
101 ASP 0.9519
102 4JP 0.9519
103 J1Z 0.9519
104 F05 0.9518
105 9EW 0.9517
106 NIZ 0.9503
107 270 0.9500
108 60P 0.9499
109 0RW 0.9489
110 6M4 0.9487
111 3U4 0.9485
112 F9P 0.9481
113 HLR 0.9477
114 ZBT 0.9476
115 ABV 0.9476
116 14O 0.9475
117 BZX 0.9473
118 6AI 0.9471
119 JAE 0.9470
120 F60 0.9469
121 HBA 0.9465
122 5H1 0.9464
123 3BZ 0.9462
124 DYA 0.9454
125 2CK 0.9453
126 DBH 0.9436
127 FBM 0.9435
128 3OC 0.9432
129 2K4 0.9430
130 FQI 0.9425
131 4NC 0.9423
132 P92 0.9420
133 PZI 0.9413
134 SW7 0.9412
135 ADE 0.9412
136 3F0 0.9411
137 3HA 0.9409
138 PMB 0.9408
139 2MI 0.9406
140 JZ9 0.9406
141 3ID 0.9398
142 0TR 0.9396
143 BNS 0.9394
144 5MB 0.9394
145 DHB 0.9388
146 UY7 0.9383
147 HPA 0.9370
148 INO 0.9369
149 NBE 0.9369
150 KIV 0.9367
151 JBK 0.9361
152 5WV 0.9361
153 LMR 0.9356
154 11S 0.9354
155 P9P 0.9353
156 1MR 0.9351
157 5MI 0.9350
158 ISN 0.9349
159 KKN 0.9344
160 VNJ 0.9338
161 1SQ 0.9333
162 2CQ 0.9333
163 1LQ 0.9331
164 DMD 0.9330
165 SS2 0.9330
166 OK7 0.9327
167 3M0 0.9326
168 URF 0.9326
169 H42 0.9323
170 10L 0.9323
171 1DQ 0.9323
172 NNO 0.9319
173 N5J 0.9319
174 67N 0.9318
175 JLZ 0.9316
176 24W 0.9316
177 COU 0.9316
178 MCT 0.9314
179 H4N 0.9314
180 PHU 0.9313
181 TH0 0.9310
182 MRZ 0.9309
183 6MP 0.9309
184 FK1 0.9308
185 ES9 0.9308
186 FA0 0.9306
187 AHR 0.9306
188 PEA 0.9305
189 XBT 0.9304
190 4VP 0.9303
191 HHA 0.9297
192 93K 0.9296
193 1NP 0.9296
194 1MC 0.9294
195 5IQ 0.9292
196 150 0.9290
197 GYE 0.9287
198 BP1 0.9284
199 3HM 0.9284
200 MYJ 0.9284
201 XQ0 0.9282
202 3SK 0.9280
203 QSB 0.9280
204 JPZ 0.9280
205 1DW 0.9278
206 4YS 0.9278
207 4A3 0.9278
208 2AQ 0.9276
209 3PF 0.9275
210 4FS 0.9275
211 M1A 0.9274
212 5SG 0.9272
213 TDR 0.9272
214 1P3 0.9271
215 SIN 0.9269
216 MAK 0.9269
217 9TW 0.9267
218 5Q0 0.9267
219 03V 0.9265
220 9DA 0.9264
221 PAC 0.9263
222 4P5 0.9263
223 JB5 0.9262
224 7WA 0.9259
225 HX2 0.9258
226 ES1 0.9257
227 TH7 0.9256
228 6CS 0.9256
229 1WG 0.9255
230 KYD 0.9255
231 WBU 0.9254
232 9HX 0.9254
233 4JU 0.9253
234 CXF 0.9251
235 DOB 0.9251
236 FHB 0.9249
237 4HO 0.9248
238 JZ3 0.9248
239 HSE 0.9246
240 5RG 0.9246
241 MWM 0.9246
242 ES4 0.9246
243 GRE 0.9245
244 5CU 0.9245
245 APY 0.9242
246 7HP 0.9242
247 4ZE 0.9242
248 NVI 0.9241
249 JZ7 0.9241
250 HSM 0.9240
251 7W4 0.9240
252 2HO 0.9238
253 CHB 0.9238
254 2MH 0.9234
255 173 0.9233
256 FBV 0.9230
257 OXC 0.9229
258 IHB 0.9229
259 PCA 0.9228
260 QWN 0.9228
261 1P7 0.9226
262 7B4 0.9226
263 6M1 0.9225
264 7WG 0.9223
265 K34 0.9223
266 5NU 0.9221
267 R8A 0.9219
268 FUM 0.9218
269 T2C 0.9218
270 MZ0 0.9218
271 4M0 0.9215
272 OHG 0.9214
273 PLQ 0.9212
274 ADZ 0.9212
275 MAE 0.9212
276 OCH 0.9211
277 ES5 0.9210
278 ORO 0.9209
279 GUA 0.9208
280 TSU 0.9207
281 GTQ 0.9207
282 45C 0.9206
283 9TZ 0.9204
284 FB1 0.9204
285 5QY 0.9203
286 SAN 0.9200
287 51R 0.9200
288 HQY 0.9193
289 1DV 0.9191
290 Q88 0.9191
291 ES7 0.9188
292 GLU 0.9187
293 FCR 0.9187
294 BHA 0.9185
295 FEH 0.9184
296 4JM 0.9182
297 B24 0.9180
298 PYJ 0.9179
299 XBZ 0.9178
300 4XR 0.9177
301 J9T 0.9176
302 6F0 0.9176
303 0R0 0.9175
304 HMH 0.9175
305 PM6 0.9174
306 275 0.9173
307 4XH 0.9172
308 AAS 0.9170
309 FPY 0.9170
310 HIS 0.9169
311 5B1 0.9168
312 4J8 0.9167
313 ES0 0.9166
314 54G 0.9166
315 HQE 0.9165
316 717 0.9165
317 KOJ 0.9165
318 NK 0.9164
319 RHU 0.9164
320 1SA 0.9163
321 CWM 0.9163
322 7MU 0.9162
323 PCR 0.9161
324 DA1 0.9160
325 2AL 0.9159
326 5M0 0.9159
327 8NY 0.9159
328 FPN 0.9158
329 H8N 0.9157
330 FBW 0.9155
331 D1X 0.9153
332 HH8 0.9150
333 MXN 0.9147
334 LG4 0.9143
335 FBS 0.9142
336 EQT 0.9141
337 G3E 0.9138
338 2ZV 0.9135
339 BVC 0.9132
340 HVQ 0.9131
341 TEO 0.9129
342 XCZ 0.9128
343 A1U 0.9126
344 SHA 0.9125
345 LT2 0.9125
346 NOJ 0.9124
347 XX2 0.9124
348 54D 0.9121
349 I1E 0.9120
350 4JJ 0.9120
351 O72 0.9120
352 HYP 0.9116
353 3SL 0.9114
354 URP 0.9114
355 BTE 0.9113
356 D48 0.9112
357 25R 0.9111
358 2YU 0.9110
359 5MH 0.9110
360 4JT 0.9109
361 2AC 0.9107
362 FBA 0.9105
363 4CL 0.9105
364 5OB 0.9104
365 FP1 0.9103
366 XYD 0.9102
367 HT4 0.9101
368 8OZ 0.9100
369 LDU 0.9099
370 RIB 0.9098
371 RMN 0.9095
372 TLA 0.9095
373 CFP 0.9094
374 SRT 0.9093
375 AZA 0.9090
376 C2B 0.9090
377 ET2 0.9089
378 PKU 0.9087
379 34A 0.9083
380 JBH 0.9083
381 9X7 0.9080
382 5UC 0.9080
383 286 0.9079
384 QXW 0.9078
385 23A 0.9075
386 TIU 0.9074
387 261 0.9073
388 AW5 0.9073
389 ASN 0.9071
390 J9Q 0.9069
391 ES2 0.9068
392 069 0.9067
393 4CH 0.9067
394 PXY 0.9065
395 ICP 0.9063
396 J5I 0.9060
397 ECE 0.9060
398 2D0 0.9059
399 VGD 0.9059
400 AKG 0.9059
401 PEL 0.9057
402 1P8 0.9056
403 7N0 0.9055
404 4WL 0.9054
405 BVG 0.9053
406 K2T 0.9051
407 GLC 0.9047
408 5QX 0.9047
409 36R 0.9045
410 SX1 0.9044
411 GXE 0.9044
412 A2F 0.9043
413 HIO 0.9043
414 EKZ 0.9041
415 43M 0.9041
416 7W1 0.9038
417 SE2 0.9038
418 PRS 0.9037
419 PEP 0.9036
420 DOR 0.9036
421 A09 0.9035
422 M4T 0.9033
423 AEF 0.9033
424 4FA 0.9033
425 RCO 0.9032
426 JZ2 0.9032
427 QY9 0.9030
428 GDE 0.9030
429 FBB 0.9029
430 2MP 0.9028
431 0P6 0.9027
432 WOT 0.9026
433 GJZ 0.9025
434 27Y 0.9021
435 CLW 0.9019
436 45L 0.9019
437 5VM 0.9018
438 SKM 0.9017
439 AL0 0.9015
440 L3Q 0.9014
441 DHK 0.9011
442 SPA 0.9009
443 BZ3 0.9008
444 280 0.9005
445 HX3 0.9002
446 K5W 0.8997
447 4JL 0.8995
448 TZL 0.8990
449 HDH 0.8990
450 JA8 0.8990
451 C2A 0.8989
452 AZG 0.8989
453 5MK 0.8988
454 DHR 0.8981
455 PYD 0.8977
456 VAL 0.8975
457 97T 0.8974
458 FYU 0.8973
459 R2B 0.8972
460 EA1 0.8972
461 IFP 0.8971
462 BP9 0.8967
463 RB5 0.8966
464 51F 0.8965
465 8K2 0.8965
466 UGC 0.8962
467 9CL 0.8961
468 4AA 0.8957
469 DFB 0.8954
470 2DR 0.8954
471 SYV 0.8953
472 FBJ 0.8952
473 259 0.8948
474 MNN 0.8948
475 XIY 0.8946
476 X0V 0.8944
477 MR1 0.8943
478 6AP 0.8943
479 PIM 0.8942
480 1DJ 0.8937
481 YRL 0.8936
482 SJ5 0.8935
483 OTR 0.8931
484 JFJ 0.8930
485 THR 0.8926
486 PIY 0.8925
487 5AC 0.8924
488 9YL 0.8924
489 8H8 0.8922
490 OVP 0.8918
491 SKA 0.8917
492 HY1 0.8914
493 LDP 0.8913
494 ANN 0.8913
495 3FH 0.8911
496 GIF 0.8910
497 4SX 0.8909
498 4FH 0.8902
499 PNZ 0.8897
500 NXA 0.8896
501 M6W 0.8895
502 4NM 0.8895
503 TAR 0.8891
504 271 0.8891
505 TZE 0.8891
506 ODO 0.8890
507 40E 0.8884
508 2LP 0.8883
509 IP0 0.8883
510 4ZA 0.8877
511 HMU 0.8877
512 3MB 0.8876
513 DS0 0.8876
514 FE DB1 0.8876
515 3XX 0.8875
516 JZ1 0.8874
517 S76 0.8874
518 FBT 0.8874
519 PEQ 0.8871
520 HCS 0.8871
521 ICF 0.8870
522 0HO 0.8870
523 CRN 0.8869
524 COI 0.8869
525 XUL 0.8867
526 HJP 0.8866
527 1M2 0.8864
528 SVD 0.8864
529 A13 0.8859
530 2BG 0.8859
531 OVM 0.8856
532 8WO 0.8851
533 258 0.8851
534 DIU 0.8844
535 82I 0.8841
536 9RW 0.8840
537 P3K 0.8838
538 AGK 0.8834
539 98J 0.8831
540 24B 0.8830
541 IFM 0.8828
542 OW4 0.8826
543 URQ 0.8826
544 CEE 0.8822
545 23J 0.8820
546 PBE 0.8818
547 HSO 0.8816
548 ITN 0.8815
549 M3H 0.8814
550 F81 0.8814
551 URS 0.8813
552 SEP 0.8811
553 2AS 0.8809
554 DBX 0.8809
555 DGJ 0.8806
556 5GU 0.8803
557 3NY 0.8799
558 QMP 0.8797
559 DAS 0.8797
560 2RH 0.8796
561 DE5 0.8790
562 SPV 0.8787
563 DPR 0.8786
564 SC2 0.8781
565 NDH 0.8779
566 52C 0.8778
567 0HN 0.8778
568 GZ3 0.8774
569 92K 0.8773
570 AHB 0.8770
571 BNF 0.8770
572 69O 0.8764
573 AMS 0.8764
574 2PG 0.8763
575 HC4 0.8761
576 MS9 0.8757
577 ASO 0.8753
578 1LN 0.8752
579 1AB 0.8751
580 RBL 0.8748
581 SMN 0.8748
582 R9S 0.8745
583 LNR 0.8743
584 RNS 0.8736
585 5XC 0.8724
586 EDG 0.8719
587 ASC 0.8715
588 BPN 0.8714
589 IF7 0.8713
590 OXZ 0.8712
591 2EZ 0.8704
592 FBU 0.8700
593 34D 0.8699
594 ZXD 0.8698
595 AZF 0.8694
596 BSX 0.8693
597 SNE 0.8683
598 0V5 0.8681
599 G4D 0.8678
600 G3P 0.8677
601 IFL 0.8672
602 PAF 0.8670
603 MRY 0.8669
604 HPS 0.8666
605 PRI 0.8664
606 RBJ 0.8663
607 3AL 0.8662
608 2FY 0.8658
609 R1X 0.8650
610 XYL 0.8649
611 IHG 0.8642
612 GLN 0.8641
613 I4B 0.8640
614 LER 0.8638
615 2A7 0.8634
616 XLS 0.8624
617 EDR 0.8624
618 IOM 0.8619
619 CN0 0.8617
620 SN4 0.8615
621 PPR 0.8606
622 THE 0.8590
623 K7M 0.8578
624 PRA 0.8574
625 T9G 0.8562
626 2FT 0.8550
627 SD4 0.8546
628 2HG 0.8541
629 LCN 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UXM; Ligand: BE7; 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: 4uxm.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback