Receptor
PDB id Resolution Class Description Source Keywords
1UO4 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE BASED ENGINEERING OF INTERNAL MOLECULAR SURFACES O HELIX BUNDLES SACCHAROMYCES CEREVISIAE FOUR HELIX BUNDLE CAVITY IODOBENZENE
Ref.: STRUCTURE-BASED ENGINEERING OF INTERNAL CAVITIES IN COILED-COIL PEPTIDES BIOCHEMISTRY V. 44 9723 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1033;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PIH B:1033;
Valid;
none;
submit data
204.008 C6 H5 I c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UO4 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE BASED ENGINEERING OF INTERNAL MOLECULAR SURFACES O HELIX BUNDLES SACCHAROMYCES CEREVISIAE FOUR HELIX BUNDLE CAVITY IODOBENZENE
Ref.: STRUCTURE-BASED ENGINEERING OF INTERNAL CAVITIES IN COILED-COIL PEPTIDES BIOCHEMISTRY V. 44 9723 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 1UO4 - PIH C6 H5 I c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 1UO4 - PIH C6 H5 I c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1UO4 - PIH C6 H5 I c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PIH 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PIH; Similar ligands found: 529
No: Ligand Similarity coefficient
1 GXE 1.0000
2 HGW 1.0000
3 HHN 1.0000
4 TTO 0.9997
5 CYH 0.9983
6 8CL 0.9969
7 HAI 0.9935
8 CXL 0.9913
9 MBN 0.9883
10 IPH 0.9864
11 V1L 0.9857
12 PYZ 0.9849
13 LGA 0.9824
14 WOT 0.9823
15 3AP 0.9804
16 ES3 0.9804
17 A2Q 0.9796
18 BYZ 0.9796
19 93B 0.9790
20 2AP 0.9786
21 HVK 0.9786
22 4AP 0.9780
23 5KX 0.9776
24 AMC 0.9774
25 JZ6 0.9764
26 HRZ 0.9758
27 MZY 0.9757
28 4MZ 0.9755
29 MZ0 0.9734
30 2IM 0.9733
31 9PO 0.9728
32 5MP 0.9719
33 2MZ 0.9716
34 FPI 0.9714
35 MR3 0.9713
36 3TR 0.9699
37 1MZ 0.9696
38 HOW 0.9689
39 2AI 0.9680
40 282 0.9679
41 NVI 0.9662
42 ABN 0.9654
43 SYN 0.9632
44 1CB 0.9630
45 PYF 0.9626
46 HBX 0.9625
47 7EX 0.9623
48 PY7 0.9615
49 NBE 0.9614
50 3MT 0.9614
51 4HS 0.9611
52 CYS 0.9609
53 BML 0.9601
54 6X8 0.9600
55 MMZ 0.9597
56 4CH 0.9578
57 1DH 0.9577
58 HGQ 0.9576
59 E60 0.9575
60 HHQ 0.9574
61 IOL 0.9570
62 4JN 0.9568
63 B3R 0.9565
64 HEW 0.9564
65 AMT 0.9559
66 HYN 0.9554
67 938 0.9547
68 L60 0.9540
69 4JU 0.9538
70 CIG 0.9537
71 CRS 0.9537
72 2CH 0.9534
73 BAQ 0.9534
74 GBL 0.9529
75 M3T 0.9525
76 XIX 0.9525
77 HTS 0.9521
78 4H2 0.9521
79 BVG 0.9520
80 BEW 0.9517
81 ATQ 0.9510
82 HIU 0.9509
83 25T 0.9505
84 KSW 0.9501
85 1MR 0.9500
86 3CH 0.9497
87 MB3 0.9496
88 2MH 0.9492
89 LG4 0.9489
90 PCR 0.9485
91 4XX 0.9480
92 DMI 0.9475
93 HPY 0.9474
94 RCO 0.9467
95 2KT 0.9467
96 93Q 0.9465
97 URA 0.9464
98 280 0.9462
99 BVF 0.9462
100 PYJ 0.9462
101 284 0.9461
102 LG5 0.9458
103 PXY 0.9457
104 26D 0.9455
105 24T 0.9454
106 25R 0.9450
107 LG3 0.9450
108 DA1 0.9445
109 HVQ 0.9441
110 TMZ 0.9438
111 HSL 0.9438
112 8GF 0.9436
113 9CL 0.9435
114 HQE 0.9433
115 APY 0.9430
116 JZ0 0.9427
117 CEJ 0.9426
118 CYT 0.9425
119 BNZ 0.9422
120 DGY 0.9422
121 278 0.9420
122 PHZ 0.9415
123 BVC 0.9414
124 0PY 0.9413
125 1PT 0.9405
126 8LG 0.9402
127 FPN 0.9395
128 CAQ 0.9394
129 P1R 0.9392
130 DUC 0.9391
131 B24 0.9390
132 B20 0.9387
133 285 0.9384
134 4AX 0.9380
135 PLQ 0.9378
136 DTI 0.9366
137 2EZ 0.9360
138 TMT 0.9358
139 DXX 0.9356
140 1AN 0.9355
141 92Z 0.9353
142 ECE 0.9347
143 DSN 0.9343
144 JZ3 0.9330
145 FP2 0.9326
146 3ZS 0.9326
147 H3M 0.9321
148 OHG 0.9301
149 ICC 0.9298
150 3PY 0.9292
151 27Y 0.9291
152 0R0 0.9285
153 HSM 0.9285
154 GOL 0.9284
155 PYR 0.9283
156 9X7 0.9283
157 DMG 0.9282
158 76X 0.9282
159 BR9 0.9275
160 6SP 0.9272
161 YAN 0.9270
162 4CL 0.9269
163 OXM 0.9268
164 1DU 0.9264
165 TM4 0.9263
166 L89 0.9254
167 OXL 0.9253
168 VAL 0.9250
169 6MH 0.9241
170 2AF 0.9240
171 MZG 0.9240
172 OXE 0.9240
173 DCY 0.9238
174 MWJ 0.9235
175 R8A 0.9230
176 NK 0.9230
177 PRI 0.9225
178 KG7 0.9224
179 MCT 0.9223
180 SER 0.9223
181 4JJ 0.9218
182 4HO 0.9215
183 3CE 0.9211
184 JZ2 0.9206
185 A1U 0.9202
186 LAC 0.9200
187 3ZQ 0.9198
188 IDH 0.9190
189 ABA 0.9182
190 H8N 0.9178
191 5JC 0.9178
192 QOS 0.9174
193 2AC 0.9169
194 MZW 0.9168
195 LDU 0.9168
196 HBA 0.9166
197 HSE 0.9166
198 RSF 0.9164
199 URF 0.9156
200 DUB 0.9155
201 2CM 0.9153
202 3MC 0.9152
203 2MY 0.9151
204 40O 0.9150
205 MBD 0.9148
206 XYD 0.9148
207 DAL 0.9148
208 A3B 0.9146
209 DBB 0.9146
210 MLA 0.9143
211 J1Z 0.9140
212 Y8I 0.9137
213 ICP 0.9137
214 PYD 0.9137
215 BP9 0.9135
216 2RA 0.9134
217 94N 0.9130
218 C2B 0.9129
219 AHR 0.9128
220 1MC 0.9126
221 286 0.9123
222 4JO 0.9123
223 4JM 0.9122
224 JZ1 0.9121
225 PYG 0.9120
226 XBZ 0.9116
227 4JL 0.9114
228 275 0.9112
229 MLI 0.9112
230 2ZX 0.9111
231 KIV 0.9111
232 PHB 0.9109
233 WBU 0.9105
234 HGY 0.9103
235 4ZE 0.9102
236 MMU 0.9100
237 2C9 0.9096
238 C2A 0.9094
239 ALA 0.9093
240 3FA 0.9091
241 5MH 0.9087
242 SAR 0.9086
243 3MH 0.9085
244 RSO 0.9085
245 FPY 0.9083
246 4VP 0.9081
247 MWM 0.9080
248 34A 0.9077
249 FFP 0.9077
250 TM7 0.9076
251 2DR 0.9075
252 P2D 0.9075
253 PYM 0.9074
254 2YU 0.9069
255 OXD 0.9069
256 03W 0.9066
257 HT4 0.9066
258 JBN 0.9062
259 4DX 0.9061
260 GMN 0.9059
261 FLM 0.9055
262 TDR 0.9050
263 NAK 0.9050
264 EGD 0.9045
265 BAM 0.9045
266 R2B 0.9044
267 C5J 0.9042
268 2MP 0.9041
269 3OH 0.9040
270 C2N 0.9037
271 MAK 0.9037
272 HUI 0.9036
273 BEZ 0.9035
274 NEQ 0.9035
275 TZC 0.9034
276 TH0 0.9034
277 39J 0.9032
278 JAB 0.9026
279 RP7 0.9026
280 HCS 0.9025
281 RIB 0.9021
282 9YL 0.9020
283 DEN 0.9019
284 AKR 0.9017
285 MEU 0.9016
286 IMD 0.9016
287 23W 0.9016
288 5ZE 0.9015
289 PZO 0.9014
290 PBC 0.9013
291 HUH 0.9012
292 TRI 0.9012
293 NIO 0.9011
294 PZA 0.9006
295 XYP 0.9004
296 BEN 0.9003
297 YHO 0.9003
298 JZ5 0.8999
299 IUR 0.8997
300 SMV 0.8995
301 3AY 0.8994
302 5AN 0.8992
303 FOA 0.8992
304 FBA 0.8990
305 AX2 0.8990
306 PYC 0.8990
307 BUO 0.8987
308 GVH 0.8987
309 7CZ 0.8987
310 GOA 0.8984
311 5UC 0.8982
312 6PC 0.8981
313 WDL 0.8980
314 43M 0.8977
315 P3K 0.8977
316 NCA 0.8976
317 4JP 0.8975
318 13X 0.8975
319 ERH 0.8967
320 M58 0.8963
321 DFB 0.8963
322 PRO 0.8961
323 IT2 0.8959
324 BAL 0.8957
325 69O 0.8955
326 IND 0.8954
327 GLV 0.8954
328 YCP 0.8954
329 5Y9 0.8953
330 LXC 0.8949
331 BZF 0.8948
332 AC0 0.8947
333 TCZ 0.8947
334 BZI 0.8943
335 2OP 0.8943
336 6UA 0.8943
337 R1X 0.8942
338 SS2 0.8942
339 23A 0.8940
340 BNS 0.8939
341 TLD 0.8939
342 MPI 0.8937
343 IDM 0.8937
344 0R1 0.8936
345 47J 0.8935
346 NTN 0.8935
347 NVA 0.8933
348 BUA 0.8932
349 FAN 0.8931
350 1XX 0.8930
351 NBZ 0.8928
352 EDG 0.8926
353 M2H 0.8926
354 LZ1 0.8925
355 XYS 0.8920
356 UNU 0.8920
357 IMR 0.8918
358 0CT 0.8915
359 SLP 0.8915
360 PEA 0.8915
361 OXQ 0.8914
362 VGL 0.8913
363 BMD 0.8910
364 1AB 0.8909
365 FW5 0.8908
366 261 0.8905
367 QSC 0.8900
368 2HA 0.8895
369 5AC 0.8894
370 HAE 0.8892
371 CXF 0.8892
372 ALO 0.8890
373 1AC 0.8889
374 TFB 0.8888
375 3GR 0.8886
376 NHY 0.8875
377 FAH 0.8874
378 4XR 0.8873
379 FJO 0.8870
380 7WG 0.8864
381 THR 0.8863
382 PEL 0.8862
383 ITU 0.8859
384 MLT 0.8859
385 LER 0.8856
386 CHT 0.8854
387 BR8 0.8847
388 GLY 0.8844
389 NMU 0.8844
390 GAG 0.8844
391 F81 0.8839
392 IFM 0.8839
393 NCM 0.8837
394 CEE 0.8836
395 BAE 0.8835
396 GBD 0.8834
397 NIE 0.8833
398 35C 0.8833
399 MTG 0.8830
400 265 0.8830
401 TP5 0.8828
402 PPI 0.8825
403 0TR 0.8821
404 HBS 0.8820
405 SS1 0.8820
406 OXZ 0.8815
407 MGX 0.8815
408 JZ7 0.8814
409 AGK 0.8814
410 2PC 0.8813
411 AZF 0.8813
412 MTD 0.8809
413 DTU 0.8797
414 KOJ 0.8797
415 MRY 0.8796
416 RIP 0.8791
417 3XX 0.8790
418 C21 0.8789
419 T6C 0.8789
420 R3W 0.8788
421 7MH 0.8787
422 FP1 0.8787
423 DAB 0.8785
424 51F 0.8785
425 NIS 0.8780
426 F50 0.8776
427 DTL 0.8774
428 HY3 0.8774
429 ETM 0.8767
430 GIF 0.8762
431 FUC 0.8761
432 GXV 0.8759
433 ZZ3 0.8758
434 RUU 0.8755
435 ETF 0.8753
436 HMH 0.8752
437 HY1 0.8751
438 CSS 0.8750
439 271 0.8749
440 AGU 0.8749
441 P92 0.8747
442 JZ9 0.8745
443 TBP 0.8743
444 0MK 0.8743
445 HLT 0.8742
446 AAE 0.8735
447 273 0.8729
448 PXO 0.8729
449 4ZC 0.8728
450 3Z7 0.8727
451 HVB 0.8723
452 JIF 0.8723
453 TF4 0.8720
454 FYU 0.8715
455 S76 0.8714
456 BZX 0.8714
457 60P 0.8711
458 2A7 0.8707
459 32O 0.8706
460 IP0 0.8704
461 8H8 0.8700
462 FUL 0.8697
463 24B 0.8695
464 2MI 0.8693
465 H76 0.8691
466 ARA 0.8691
467 192 0.8690
468 BE2 0.8681
469 ALQ 0.8680
470 MSF 0.8677
471 ATO 0.8675
472 61G 0.8672
473 ABU 0.8672
474 270 0.8672
475 HPA 0.8670
476 ES9 0.8668
477 5MI 0.8666
478 BTE 0.8664
479 DFU 0.8660
480 F3V 0.8659
481 HYP 0.8657
482 SWD 0.8656
483 AX7 0.8656
484 SGL 0.8655
485 260 0.8655
486 ARB 0.8652
487 9DA 0.8650
488 BXA 0.8650
489 TZE 0.8649
490 ABV 0.8642
491 5MB 0.8640
492 NSP 0.8636
493 O7U 0.8636
494 H4N 0.8633
495 BTL 0.8633
496 11S 0.8628
497 BSX 0.8626
498 9HX 0.8622
499 ADE 0.8622
500 HX3 0.8621
501 LMR 0.8619
502 SAL 0.8619
503 5H1 0.8618
504 7HP 0.8616
505 HDA 0.8612
506 FK1 0.8612
507 VNJ 0.8607
508 717 0.8605
509 2K4 0.8603
510 ZZT 0.8603
511 1DW 0.8596
512 IQ0 0.8596
513 3U4 0.8594
514 NMJ 0.8591
515 ES6 0.8586
516 JBE 0.8581
517 14O 0.8580
518 2HE 0.8579
519 Z6J 0.8578
520 FUF 0.8577
521 HV2 0.8573
522 DPR 0.8572
523 BRP 0.8567
524 4SV 0.8562
525 3SK 0.8561
526 CP 0.8559
527 GAB 0.8534
528 3AB 0.8532
529 6HQ 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UO4; Ligand: PIH; 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: 1uo4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UO4; Ligand: PIH; 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: 1uo4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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