-->
Receptor
PDB id Resolution Class Description Source Keywords
1UO4 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE BASED ENGINEERING OF INTERNAL MOLECULAR SURFACES OF FOUR 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 OF FOUR 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 291 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 247 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 209 families.
1 1UO4 - PIH C6 H5 I c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PIH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PIH 1 1
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: 544
This union binding pocket(no: 1) in the query (biounit: 1uo4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5XJ8 NKO None
2 3R9V DXC None
3 5F2T PLM None
4 5CSD ACD None
5 5NWI TYR PHE SER SEP ASN None
6 2OFV 242 None
7 5CX6 CDP None
8 1ECM TSA None
9 1LQY BB2 None
10 2OKL BB2 None
11 1WS1 BB2 None
12 3QQA TCH None
13 4DR9 BB2 None
14 5TBM 79A None
15 5X1M DHB None
16 5G57 6M5 None
17 4V1F BQ1 None
18 1XON PIL None
19 1QV1 CZH None
20 1JF0 CZH None
21 1XMU ROF None
22 4O4K 2PK None
23 3H2B SAH None
24 1XMY ROL None
25 4JE7 BB2 None
26 3KYQ DPV None
27 3G4G D71 None
28 3G5K BB2 None
29 3UP3 XCA None
30 4HE2 AMP None
31 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU None
32 5X1M THG None
33 2EW5 Y12 None
34 5TUX ECH None
35 2E3N 6CM None
36 3KPX CZH None
37 5LJ0 6XX None
38 3GWT 066 None
39 4OGN 2U5 None
40 4LWU 20U None
41 1XM4 PIL None
42 4I4B 1CV None
43 4I4B NAD None
44 2AX9 BHM None
45 4R29 SAM None
46 5N87 N66 None
47 4WT2 3UD None
48 1N8V BDD None
49 4QC6 30N None
50 3ZS7 ATP None
51 5MTE BB2 None
52 3PMD 11A None
53 4YV5 SVR None
54 4OAS 2SW None
55 2QZT PLM None
56 6B5G CQY None
57 6B5G NAD None
58 1FK5 OLA None
59 4B7P 9UN None
60 5WL1 D3D None
61 5WL1 CUY None
62 4XB4 45D None
63 4F4P 0SB None
64 2BHW LUX None
65 3D78 NBB None
66 5UR1 YY9 None
67 5DCH 1YO None
68 1S8G DAO None
69 5UC9 MYR None
70 1G27 BB1 None
71 1RV1 IMZ None
72 3ZQE DXC None
73 3E3U NVC None
74 6BMS PLM None
75 5BYK A3P None
76 5BYK OAQ None
77 2C0U FAD NBT None
78 4HBM 0Y7 None
79 4E5N NAD None
80 1T3Q FAD None
81 4JD3 PLM None
82 1FNN ADP None
83 3IIS PID None
84 4C2V YJA None
85 4WQ2 3SU None
86 5Y72 DST None
87 3KDU NKS None
88 5BVT PAM None
89 3R9C ECL None
90 1LVK MNT BEF None
91 4DM8 REA None
92 3GST GPR None
93 5LGA 6VH None
94 4LY9 S6P None
95 4LY9 1YY None
96 5WZU 7W3 None
97 4DW4 U5P None
98 5Z84 TGL None
99 2P54 735 None
100 1S17 GNR None
101 4M8X KGQ None
102 4EJ1 FOL None
103 3ZLR X0B None
104 3PE2 E1B None
105 4EN4 GT1 None
106 4EN4 ATP None
107 4EN4 GT0 None
108 5LOF 70R None
109 4RW3 TDA None
110 1M13 HYF None
111 4U0I 0LI None
112 4RFM 3P6 None
113 1UHK CZN None
114 6MVU K4V None
115 6BKL RIM None
116 6BKL EU7 None
117 2J07 HDF None
118 2J07 FAD None
119 2GTE VA None
120 5C9J STE None
121 3BQD DAY None
122 1OPK MYR None
123 5HCN DAO None
124 3KMZ EQO None
125 5IF4 6AK None
126 3KV8 FAH None
127 3MBG FAD None
128 1NHZ 486 None
129 2NU8 COA None
130 4M4Q 21A None
131 2ZCQ B65 None
132 1SQF SAM None
133 1Z3C SA8 None
134 2QE0 NAP None
135 5TA6 79D None
136 2QZZ NAP None
137 2QZZ EMF None
138 2HW1 ANP None
139 5K7K 6RJ None
140 2YJD YJD None
141 3LOO B4P None
142 3T58 FAD None
143 6FFI D8B None
144 2VBQ BSJ None
145 3IA4 MTX None
146 4H07 IPH None
147 1N13 AG2 None
148 4XRQ 1B0 None
149 6BMM OLB None
150 5DUF G7A None
151 4XNV BUR None
152 2P1C GG3 None
153 2XCG XCG None
154 6ET8 BWH None
155 2DYR TGL None
156 2DYS TGL None
157 5UC1 486 None
158 4D0N GDP None
159 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU None
160 2XSU PIE None
161 3HP9 CF1 None
162 5HCV 60R None
163 4QGE 35O None
164 4QVX 3CQ None
165 2GJN NIS None
166 5DX3 EST None
167 4TWP AXI None
168 3W54 RNB None
169 2APC UDM None
170 2D5Z L35 None
171 1KJM ALA GLN PHE SER ALA SER ALA SER ARG None
172 6B5Q PPI CZS 2KY MLY 1XY None
173 1U3U BNF None
174 1U3U NAD None
175 3OTX AP5 None
176 3WCA FPS None
177 3IQE H4M None
178 2JJK R15 None
179 1D6H COA None
180 4NS3 NAD None
181 1MT1 AG2 None
182 5A4W QCT None
183 4U63 FAD None
184 5OYH T99 None
185 2QQD AG2 None
186 2QQC AG2 None
187 4XF6 INS None
188 4XF6 LIP None
189 3IQE F42 None
190 1Q1Y BB2 None
191 4ZCC FAD None
192 2D5X L35 None
193 4LSJ LSJ None
194 4WN5 MVC None
195 4WRI OKA None
196 4XF6 ADP None
197 1GUZ NAD None
198 1CZA ADP None
199 2Z6C FMN None
200 3IPQ 965 None
201 5DY5 5GR None
202 1RM0 NAI None
203 3T6E UQ9 None
204 1SR7 MOF None
205 4DK7 0KS None
206 1BKC INN None
207 4XOQ F42 None
208 5W7D PX8 None
209 4E2J MOF None
210 3X1M COA None
211 3UUD EST None
212 3GN8 DEX None
213 4QOM PYG None
214 5HZ5 65X None
215 1LN1 DLP None
216 1FDQ HXA None
217 5FH7 5XL None
218 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN None
219 3D9F FAD None
220 5GK9 ACO None
221 3IS2 FAD None
222 3RET SAL None
223 3RY9 1CA None
224 5FUS DAO None
225 2C5A GDC None
226 2C5A NAD None
227 6F6E PLM None
228 4NAT ADP None
229 4NAT 2W5 None
230 3QLM PLM None
231 2FV5 541 None
232 1GJW GLC None
233 1YYE 196 None
234 3OJO NAD None
235 1DMH LIO None
236 3VHE 42Q None
237 5UFS 1TA None
238 5DHU 5A8 None
239 5WGD EST None
240 2Q1H AS4 None
241 5L7G 6QE None
242 2B96 ANN None
243 1M2Z DEX None
244 2HJR APR None
245 5U98 1KX None
246 5WGQ EST None
247 1IYK MYA None
248 5DXE EST None
249 2WPX ACO None
250 1ELW GLY PRO THR ILE GLU GLU VAL ASP None
251 5DXG EST None
252 3V66 D3A None
253 2P3C 3TL None
254 3W68 VIV None
255 2ISJ FMN None
256 5LWY OLB None
257 2GBB CIT None
258 4KWD JF2 None
259 4P6X HCY None
260 1CZA G6P None
261 2HW2 RFP None
262 3FAL LO2 None
263 1UXG NAD None
264 1UXG FUM None
265 4CL6 7SB None
266 5OCA 9QZ None
267 5B0I BOG None
268 4MG9 27K None
269 3OLL EST None
270 4AG8 AXI None
271 5HYR EST None
272 1BXK NAD None
273 3EBL GA4 None
274 4INW 1EY None
275 2ZSH GA3 None
276 2IMP NAI None
277 4MGD 27N None
278 2DYR PGV None
279 5AZC PGT None
280 4ELG 52J None
281 5LX9 OLB None
282 3ABA FLI None
283 2WCJ M21 None
284 1JAY F42 None
285 2VPQ ANP None
286 4HIA FMN None
287 2YLD CMO None
288 5W3Y IHP None
289 4MGB XDH None
290 2DYS PGV None
291 2WK1 SAH None
292 3EWC MCF None
293 1UPA TPP None
294 1YQD NAP None
295 4UDB CV7 None
296 1POC GEL None
297 4ASE AV9 None
298 2I0G I0G None
299 2RH1 CLR None
300 1RKX NAD None
301 3KRO DST None
302 3KRO IPE None
303 3RS8 ALA TRP LEU PHE GLU ALA None
304 4PYH GLC GLC GLC GLC GLC GLC None
305 5VKT NAP None
306 5G3N X28 None
307 5E7V M7E None
308 1N1G BCP None
309 4R57 ACO None
310 1RP0 AHZ None
311 4CLI 5P8 None
312 4BNU 9KQ None
313 5IKH 6BW None
314 4J26 EST None
315 2IHT TPP None
316 2C3Q GTX None
317 3DTU DXC None
318 4F4S EFO None
319 4TQ3 GPP None
320 3RET PYR None
321 5Z84 PGV None
322 1NZY BCA None
323 2AK3 AMP None
324 1FCH TYR GLN SER LYS LEU None
325 4ASJ N6A None
326 4RNV FMN None
327 4RNV HBA None
328 1RM0 D6P None
329 4TUZ 36J None
330 3GXO MQA None
331 4RHE FMN None
332 3NJQ NJQ None
333 4J24 EST None
334 6C1R EFD None
335 1N20 3AG None
336 1DTL BEP None
337 4BFW ZVW None
338 3SE5 ANP None
339 5ZCO PEK None
340 5O0B 9FE None
341 5ZCO TGL None
342 5DKK FMN None
343 4XP7 FNR None
344 2C9E PID None
345 3MJY FMN None
346 3MJY IJZ None
347 4ETZ C2E None
348 1LRI CLR None
349 2YYJ 4HP None
350 5Z84 PEK None
351 3BKR PLM None
352 4MG7 27H None
353 4EES FMN None
354 5DJT FMN None
355 3V49 PK0 None
356 2PR5 FMN None
357 3GWL FAD None
358 1P1M MET None
359 1XZ3 ICF None
360 3WBD SIA SIA SIA SIA SIA SIA SIA None
361 4LHW GNP None
362 5CJH 522 None
363 3OV6 MK0 None
364 1LDN NAD None
365 3G58 988 None
366 5W7B PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR None
367 5SVV FMN None
368 5V13 JH3 None
369 5I7A 68Q None
370 3FAL REA None
371 1UVC STE None
372 3EE4 MYR None
373 4MG8 27J None
374 3T50 FMN None
375 4XYM COA None
376 1U3R 338 None
377 6GBV FMN None
378 3VVY ET None
379 4OKZ 3E9 None
380 3D9F N6C None
381 1H5S TMP None
382 1P0H COA None
383 3AQT RCO None
384 1BWO LPC None
385 3NC9 TR3 None
386 1MID LAP None
387 2YPO PHE None
388 4G2R H1L None
389 2GFD RDA None
390 4TV1 36M None
391 3ROE THM None
392 2A3I C0R None
393 4UMJ BFQ None
394 1TMX HGX None
395 2OVW CBI None
396 1H5R THM None
397 1D1G MTX None
398 1Z08 GNP None
399 1GA8 UPF None
400 3A51 VDY None
401 3L9W FMN None
402 3UUA 0CZ None
403 5W3X IHP None
404 5ZCO PGV None
405 5MWY YNU None
406 3COW 52H None
407 2V0U FMN None
408 5VEG FMN None
409 4R38 RBF None
410 5MWE TCE None
411 2F59 INI None
412 5GM1 SAH None
413 4EOX 0S5 5.88235
414 2HU5 GLY PHE 5.88235
415 3L9R L9Q 5.88235
416 4V3C C 5.88235
417 5EOB 5QQ 8.82353
418 4IAE 1DX 8.82353
419 1YWQ FMN 8.82353
420 2Z7I 742 8.82353
421 1RDT L79 8.82353
422 6ESN BWE 8.82353
423 5NTW 98N 8.82353
424 5IXK 6EW 8.82353
425 1JR8 FAD 8.82353
426 5NM7 GLY 8.82353
427 2HFP NSI 8.82353
428 2O1O RIS 8.82353
429 3H0A D30 8.82353
430 4G86 BNT 8.82353
431 6CB2 OLC 8.82353
432 5APK 76E 8.82353
433 5L0U 660 8.82353
434 3GFZ FMN 8.82353
435 5NTP 98E 8.82353
436 2OBD PCW 11.7647
437 2AMV BIN 11.7647
438 5I8F ML1 11.7647
439 5HCY 60D 11.7647
440 2Q6B HR2 11.7647
441 4R6W PC 11.7647
442 5KOR GDP 11.7647
443 5H62 UDP 11.7647
444 3ND6 ATP 11.7647
445 4YDQ HFG 14.7059
446 4YDQ ANP 14.7059
447 2ZWI C5P 14.7059
448 1C9K 5GP 14.7059
449 4NMC FAD 14.7059
450 4NMC 2OP 14.7059
451 4GVS F4M 17.6471
452 2HJ3 FAD 17.6471
453 1TV5 A26 17.6471
454 4NKT 2KH 17.6471
455 2Q28 ADP 17.6471
456 1SUW NAP 20.5882
457 1PG4 COA 20.5882
458 1PG4 PRX 20.5882
459 3RMK BML 20.5882
460 5IM3 DTP 20.5882
461 5TIV A3P 20.5882
462 2J1P GRG 20.5882
463 4NKW PLO 20.5882
464 3QCJ NX4 20.5882
465 2XA2 UPG 20.5882
466 1EZV SMA 20.5882
467 5ENZ UDP 20.5882
468 4CW5 FMN 20.5882
469 5ICK FEZ 23.5294
470 5OSW AE4 23.5294
471 6FX0 E9T 23.5294
472 3BEJ MUF 23.5294
473 3OKI OKI 23.5294
474 4EUE NAI 23.5294
475 4PLT NAI 23.5294
476 6A5Y 9R0 23.5294
477 4OIV XX9 23.5294
478 2Q2Y ADP 23.5294
479 2Z6D FMN 23.5294
480 2Q2Y MKR 23.5294
481 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 23.5294
482 4GBM A3P 23.5294
483 5OLK DTP 23.5294
484 1ZED PNP 23.5294
485 3DCT 064 23.5294
486 5OSW DIU 23.5294
487 4YUS FMN 23.5294
488 6D5X 5AD 23.5294
489 3RDE OYP 23.5294
490 2RHQ GAX 26.4706
491 5TO8 7FM 26.4706
492 3FPF TNA 26.4706
493 2ZHZ ATP 26.4706
494 4ZBR NPS 26.4706
495 4ZBR DIF 26.4706
496 1MUU NAD 26.4706
497 3FPF MTA 26.4706
498 4V24 GYR 26.4706
499 1MV8 NAD 26.4706
500 2BCG GER 26.4706
501 6DIO NAD 26.4706
502 4XVX P33 FDA 26.4706
503 1XVB 3BR 26.4706
504 1L0I PSR 26.4706
505 4C2X NHW 26.4706
506 1PS9 NAP 26.4706
507 6DIO CIT 26.4706
508 5MT9 SRO 28.5714
509 5MT9 ARG 28.5714
510 1ZEI CRS 29.4118
511 3SJH LAR 29.4118
512 3Q8G PEE 29.4118
513 5CUQ NSC 29.4118
514 1YB5 NAP 29.4118
515 3CX5 SMA 29.4118
516 3E7O 35F 29.4118
517 6BR8 6OU 29.4118
518 3BAZ NAP 29.4118
519 6GG9 FMN 29.4118
520 4TTQ ATP 29.4118
521 4QWT ACD 29.4118
522 4Z94 ATP 29.4118
523 4OKS 2T9 29.4118
524 1LSH PLD 29.4118
525 4ONA UW1 32.3529
526 4PLG NAI 32.3529
527 4PLG OXM 32.3529
528 2X5W K2B 32.3529
529 5C2H 4PX 35.2941
530 6FS0 E4W 35.2941
531 5C2H 4XU 35.2941
532 4R5Z SIN 35.2941
533 5LGD PLM 35.2941
534 2YOO K2B 35.2941
535 1GNI OLA 38.2353
536 2W41 ADP 38.2353
537 3SDV 911 38.2353
538 3U3U EAH 41.1765
539 6G5J EM8 41.1765
540 5OWC AYZ 41.1765
541 4OGQ 1O2 44.1176
542 4OGQ SQD 44.1176
543 1UA4 AMP 44.1176
544 4PIV NDP 44.1176
545 2A1L PCW 50
546 5KD8 TNR 50
547 2FYU FDN 50
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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