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Receptor
PDB id Resolution Class Description Source Keywords
2Z3U 2.4 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CHROMOPYRROLIC ACID BOUND CYTOCHROME P450 STAP (CYP245A1) STREPTOMYCES SP. TP-A0274 CYTOCHROME P450 MONOXYGENASE OXYDOREDUCTASE HEME-ENZYME CHROMOPYRROLIC ACID OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES AND CATALYTIC MECHANISM OF CYTOCHROME P450 STAP THAT PRODUCES THE INDOLOCARBAZOLE SKELETON PROC.NATL.ACAD.SCI.USA V. 104 11591 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CRR A:501;
A:502;
A:503;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
385.372 C22 H15 N3 O4 c1ccc...
EDO A:504;
A:505;
A:506;
A:507;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
HEM A:500;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z3U 2.4 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CHROMOPYRROLIC ACID BOUND CYTOCHROME P450 STAP (CYP245A1) STREPTOMYCES SP. TP-A0274 CYTOCHROME P450 MONOXYGENASE OXYDOREDUCTASE HEME-ENZYME CHROMOPYRROLIC ACID OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES AND CATALYTIC MECHANISM OF CYTOCHROME P450 STAP THAT PRODUCES THE INDOLOCARBAZOLE SKELETON PROC.NATL.ACAD.SCI.USA V. 104 11591 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3A1L - 2CC C22 H13 Cl2 N3 O4 c1cc2c(c[n....
2 2Z3U - CRR C22 H15 N3 O4 c1ccc2c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3A1L - 2CC C22 H13 Cl2 N3 O4 c1cc2c(c[n....
2 2Z3U - CRR C22 H15 N3 O4 c1ccc2c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3A1L - 2CC C22 H13 Cl2 N3 O4 c1cc2c(c[n....
2 2Z3U - CRR C22 H15 N3 O4 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CRR; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CRR 1 1
2 2CC 0.466667 0.891892
3 ICO 0.423077 0.628571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z3U; Ligand: CRR; Similar sites found with APoc: 584
This union binding pocket(no: 1) in the query (biounit: 2z3u.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4IPH 1FJ None
2 6E2B PT7 None
3 6BJO DUY None
4 1ELI PYC 1.02828
5 4B2Z P5S 1.17647
6 5BSR AMP 1.17647
7 4GV4 MEJ 1.40056
8 4RLE 2BA 1.41176
9 2HBL AMP 1.46341
10 3PP0 03Q 1.47929
11 4PYW ACE THR THR ALA ILE NH2 1.48515
12 5FUI APY 1.51515
13 4DXD 9PC 1.51515
14 4DQ2 BTX 1.52439
15 5FPE 3TR 1.55039
16 3R96 ACO 1.59574
17 3R96 AMP 1.59574
18 5D9G GLU ASN LEU TYR PHE GLN 1.62602
19 3TFJ THG 1.62602
20 1F52 ADP 1.64706
21 5MRH Q9Z 1.64706
22 5X1M DHB 1.64706
23 3SSO SAH 1.64706
24 5X1M THG 1.64706
25 1PJ6 FOL 1.64706
26 1VJY 460 1.65016
27 3ACL 3F1 1.68919
28 1S4M LUM 1.70648
29 4L80 1VU 1.72414
30 2OJW ADP 1.82292
31 2AG4 OLA 1.82927
32 2AG4 LP3 1.82927
33 5KY9 GDP 1.88235
34 2XGT NSS 1.88235
35 1X54 4AD 1.88235
36 3IES M24 1.88235
37 5KY5 GDP 1.88235
38 5J75 6GQ 1.89394
39 5U3F 7TS 1.90217
40 4USF 6UI 1.97368
41 5WO4 B7V 1.98676
42 4X9X OLA 2.00669
43 1NWW HPN 2.01342
44 3MF2 AMP 2.02312
45 3LVW GSH 2.11765
46 4B0T ADP 2.11765
47 4OYA 1VE 2.11765
48 4Z87 GDP 2.11765
49 4GR5 APC 2.11765
50 1U2Z SAH 2.11765
51 1W96 S1A 2.11765
52 4NOS ITU 2.11765
53 1IA9 ANP 2.14286
54 4RD0 GDP 2.16867
55 4XMF HSM 2.17391
56 2POC UD1 2.17984
57 5DMZ ADP 2.19178
58 3ZY6 GFB 2.20994
59 1H65 GDP 2.22222
60 3I7V B4P 2.23881
61 5JKG 6LF 2.2508
62 5H9Y BGC BGC BGC BGC 2.25225
63 5XDT MB3 2.27273
64 5XDT ZI7 2.27273
65 1M5B BN1 2.28137
66 2II3 CAO 2.29008
67 4YUW S4M 2.30263
68 4YUW 4JU 2.30263
69 4L3L 5FI 2.30263
70 3A5Y KAA 2.31884
71 4O9S 2RY 2.32558
72 2YNE NHW 2.34375
73 2YNE YNE 2.34375
74 4O12 2QG 2.35294
75 3VRY B43 2.35294
76 5AE9 OKO 2.35294
77 2GVJ DGB 2.35294
78 1XOC VAL ASP SER LYS ASN THR SER SER TRP 2.35294
79 6CGD GNP 2.35294
80 6CGD AKN 2.35294
81 5DNK SAH 2.35294
82 2FY3 CHT 2.35294
83 1U8X NAD 2.35294
84 5LHT TIH 2.38095
85 4KS7 X4Z 2.39726
86 4E1Z 0MX 2.4055
87 3TEG DAH 2.40964
88 5UXH GFB 2.45232
89 1WOR RED 2.47253
90 1KOR ARG 2.5
91 1KOR SIN 2.5
92 1KOR ANP 2.5
93 4B74 1LH 2.55255
94 4CS4 AXZ 2.55474
95 4CS4 ANP 2.55474
96 4NV7 COA 2.5641
97 4RYV ZEA 2.58065
98 1RYD GLC 2.58398
99 2QBU SAH 2.58621
100 1OUK 084 2.58824
101 4LOO SB4 2.58824
102 3A7R LAQ 2.58824
103 2VL1 GLY GLY 2.58824
104 4XTX 590 2.59259
105 2HK5 1BM 2.59259
106 3SXS PP2 2.61194
107 2Z1U ATP 2.62391
108 3B6R ADP 2.62467
109 3KYG 5GP 5GP 2.64317
110 2GU8 796 2.67062
111 4BVA T3 2.68657
112 3I3X U22 2.7027
113 3GC8 B45 2.7027
114 6ACS CIT 2.71318
115 4ITH RCM 2.72109
116 3OQJ 3CX 2.72374
117 5XVG 8FX 2.73038
118 4P7X AKG 2.73973
119 4P7X YCP 2.73973
120 4MSG 2C6 2.76498
121 6A1G 9OL 2.77778
122 4RF7 ARG 2.82353
123 2WSA MYA 2.82353
124 2WSA 646 2.82353
125 1K97 CIR 2.82353
126 1K97 ASP 2.82353
127 4WNK 453 2.82353
128 1EWF PC1 2.82353
129 2RKV COA 2.82353
130 2RKV ZBA 2.82353
131 2WA4 069 2.82353
132 2RGH FAD 2.82353
133 5L44 K26 2.82353
134 5OX6 A1Z 2.82353
135 5L2R MLA 2.82353
136 6GWR FEW 2.85714
137 5O96 SAM 2.85714
138 1GQG DCD 2.85714
139 4J3L AJ5 2.85714
140 1IIU RTL 2.87356
141 1VBI NAD 2.90698
142 3PDT ADP 2.90909
143 5G48 1FL 2.94118
144 4UWJ MYA 2.9484
145 4UWJ 7L5 2.9484
146 3ZF8 GDP 2.95082
147 4TWP AXI 2.95203
148 6CC0 EWM 2.95359
149 4AVB ACO 3.003
150 3KYF 5GP 5GP 3.0303
151 1MDC PLM 3.0303
152 3GRU AMP 3.05085
153 3ZXR P3S 3.05882
154 3ZXR IQ1 3.05882
155 1E1O LYS 3.05882
156 5SWB NAG BMA MAN MAN MAN MAN 3.05882
157 1QD1 FON 3.07692
158 4FJU GLV 3.1339
159 4FJU NAI 3.1339
160 5NWD 9C8 3.14136
161 2E5A LAQ 3.17003
162 1SDW IYT 3.18471
163 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 3.19149
164 4IAW LIZ 3.19149
165 2IU8 PLM 3.20856
166 3LL5 IPE 3.21285
167 3LL5 ADP 3.21285
168 3MVH WFE 3.21637
169 5HW4 SAM 3.22581
170 4USI ATP 3.24675
171 2WSI FAD 3.26797
172 5MJA 7O3 3.27869
173 1VA6 P2S 3.29412
174 1VA6 ADP 3.29412
175 4WOE ADP 3.29412
176 4X3R 686 3.29412
177 1B7H LYS NLE LYS 3.29412
178 4KSY 1SY 3.30579
179 2XVD AS6 3.31126
180 4MOB ADP 3.31325
181 5DQ8 FLF 3.33333
182 3GNI ATP 3.3419
183 4GAH 0ET 3.34928
184 6GQM F8H 3.35366
185 5ML3 DL3 3.3557
186 3FW4 CAQ 3.37079
187 3G1Z AMP 3.37423
188 4YDU ADP 3.37553
189 4WHZ 3NL 3.37662
190 6B92 SAH 3.40136
191 4R57 ACO 3.40909
192 1HXD BTN 3.42679
193 6C0T EE4 3.45821
194 5VC5 96M 3.46021
195 6FA4 D1W 3.46821
196 4F9C 0SX 3.47222
197 1D9I 00P 3.47222
198 2YG2 S1P 3.48837
199 2YG2 FLC 3.48837
200 2CWH PYC 3.49854
201 2CWH NDP 3.49854
202 6GW1 CHO 3.50318
203 2RCU BUJ 3.52941
204 3GE7 AFQ 3.52941
205 1T7Q 152 3.52941
206 1T7Q COA 3.52941
207 5AE2 FYC 3.52941
208 2XIQ MLC 3.52941
209 5AE2 FAD 3.52941
210 1PJS SAH 3.52941
211 2Y4O DLL 3.52941
212 3APT FAD 3.54839
213 5ZW3 SAH 3.55556
214 5A5W GUO 3.55731
215 1S7G NAD 3.55731
216 5WHT SIA 3.62319
217 5WHT SIA GAL 3.62319
218 5WHT SIA GAL GLC 3.62319
219 1YEJ PNF 3.65297
220 4IEN GDP 3.68098
221 4I54 1C1 3.68272
222 4IAE 1DX 3.7037
223 5MM0 GDD 3.74332
224 5V59 8X1 3.76471
225 2Y6Q I7T 3.76471
226 1F5F DHT 3.76471
227 3LXN MI1 3.77358
228 3E2M E2M 3.78378
229 2QHS OCA 3.79747
230 2QIA U20 3.81679
231 3G5K BB2 3.82514
232 3VKX T3 3.83142
233 5N87 N66 3.83387
234 4MP8 NAD 3.83481
235 4MP8 MLI 3.83481
236 5A89 ADP 3.84615
237 5A89 FMN 3.84615
238 5T67 SAH 3.84615
239 3ORK AGS 3.85852
240 5BVE 4VG 3.87812
241 3KRB NAP 3.89222
242 5NIU 8YZ 3.90625
243 1KDK DHT 3.9548
244 3SBZ MLI 3.96825
245 6C1S EFV 4
246 4ONA UW1 4
247 2AGC DAO 4
248 1YFS ALA 4
249 5WHU SIA GAL 4.02685
250 4YHB FAD 4.0293
251 1Y7P RIP 4.03587
252 5DEY 59T 4.0404
253 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 4.0724
254 4MO2 FDA 4.07609
255 4RHS SIA SIA GAL 4.09836
256 5NCJ SIN 4.10448
257 3WR7 COA 4.11765
258 5H2U 1N1 4.11985
259 3CZ7 ACO 4.12088
260 2XG5 EC5 4.12844
261 2XG5 EC2 4.12844
262 3RWP ABQ 4.18006
263 1V9A SAH 4.1841
264 4QMN DB8 4.19355
265 4LO6 SIA GAL 4.21053
266 3G6K FAD 4.22078
267 3G6K POP 4.22078
268 4WUP 3UF 4.23077
269 5UGH 8AJ 4.23529
270 4BTV RB3 4.23529
271 5C5H 4YB 4.23529
272 2VVL FAD 4.23529
273 5KO1 6UY 4.24028
274 6FL8 TIY 4.25532
275 6FL8 ADP 4.25532
276 5DBX ANP 4.26829
277 1TT8 PHB 4.26829
278 3EFS BTN 4.29185
279 3QX9 ATP 4.34783
280 4EWH T77 4.36364
281 3CW9 AMP 4.36508
282 4HWS 1B3 4.37956
283 3D04 SAK 4.40252
284 5JJU AMP 4.41176
285 4EMV 0R9 4.42478
286 2YBQ SAH 4.45205
287 3T4L ZEA 4.47059
288 5KJW 53C 4.47059
289 5N9X 8QN 4.47059
290 2X34 UQ8 4.47059
291 4YRI 4JH 4.47059
292 5JZJ AN2 4.47059
293 5N9X ATP 4.47059
294 4BUZ OCZ 4.47154
295 4BUZ NAD 4.47154
296 4BUZ OAD 4.47154
297 1TOX NAD 4.48598
298 4NFN 2KC 4.53074
299 5W4W 9WG 4.53172
300 4KBA 1QM 4.53172
301 6MPT C30 4.54545
302 1N9L FMN 4.58716
303 3NZ1 3NY 4.5977
304 4IJR NDP 4.65116
305 5VM0 9EG 4.6875
306 4OTH DRN 4.69208
307 5MY8 RXZ 4.69974
308 5EJL C2E 4.70588
309 2G30 ALA ALA PHE 4.70588
310 3RHJ NAP 4.70588
311 3EPO MP5 4.70588
312 2QHV OC9 4.7619
313 5OCG 9R5 4.7619
314 2RDE C2E 4.78088
315 1J2Z SOG 4.81482
316 3NKS ACJ 4.8218
317 5VCV 1N1 4.82315
318 4U9W COA 4.83092
319 1N07 FMN 4.90798
320 1N07 ADP 4.90798
321 3TAY MN0 4.90798
322 3L5R 47X 4.91803
323 3QSB 743 4.91803
324 1Q72 COC 4.93274
325 2C78 PUL 4.93827
326 1B7Y FYA 4.94118
327 4L9I 8PR 4.94118
328 3NEM AMO 4.94118
329 5X8G S0N 4.94118
330 2IVD ACJ 4.94118
331 2ART LPA AMP 4.96183
332 4NS3 NAD 4.97336
333 1VBJ NAP 4.98221
334 5EWK P34 5
335 2X32 OTP 5.02793
336 3TTZ 07N 5.05051
337 5ANU 58T 5.06329
338 4QAC KK3 5.06912
339 3EM0 CHD 5.07246
340 5M6N 7H9 5.08475
341 2QK4 ATP 5.0885
342 5MW4 5JU 5.08982
343 1F9V ADP 5.18732
344 3LXK MI1 5.19878
345 4ZS4 ATP 5.21173
346 5MZY 8EZ 5.24194
347 1O51 ADP 5.26316
348 2ZTG A5A 5.2774
349 3WBD SIA SIA SIA SIA SIA SIA SIA 5.28455
350 2J7T 274 5.29801
351 1M15 ARG 5.32213
352 1M15 ADP 5.32213
353 4BG4 ADP 5.33708
354 1UYY BGC BGC 5.34351
355 5MU6 MYA 5.37084
356 5MU6 KFK 5.37084
357 1LNM DTX 5.43478
358 5Y4R C2E 5.51724
359 3VQ2 LP4 LP5 MYR DAO 5.55556
360 5T8U LPA 5.55556
361 2YAK OSV 5.61404
362 3HKW IX6 5.64706
363 1LSH PLD 5.64706
364 3UDZ ADP 5.64706
365 5AYT L6Y 5.66038
366 1LO8 4CA 5.67376
367 4R3U 3HC 5.6962
368 4R3U 3KK 5.6962
369 3E85 BSU 5.6962
370 5VWK PRO ALA TRP ASP GLU THR ASN LEU 5.7377
371 4CQE CQE 5.7554
372 3KV8 FAH 5.7554
373 3A5Z KAA 5.75916
374 2RHQ GAX 5.78231
375 3THR C2F 5.80205
376 4ARU TLA 5.81114
377 1WLJ U5P 5.82011
378 1JJE BYS 5.85586
379 5LRT ADP 5.88235
380 5DHU 5A8 5.88235
381 3BXF FBP 5.88235
382 5H5J FAD 5.88235
383 1P7T ACO 5.88235
384 6EWZ APC 5.90717
385 4LRJ ANP 5.91716
386 5LJB RTL 5.92593
387 4QYN RTL 6.01504
388 5XLY C2E 6.01504
389 1V3S ATP 6.03448
390 4MIB 28M 6.11765
391 2AMV BIN 6.11765
392 6BE3 NAG 6.11765
393 1RZX ACE VAL LYS GLU SER LEU VAL 6.12245
394 3HCH RSM 6.16438
395 2FKA BEF 6.20155
396 4LA7 A1O 6.21762
397 5L83 ASP TRP GLU ILE VAL 6.25
398 2QQC AG2 6.25
399 3G5D 1N1 6.29371
400 3IWJ NAD 6.35294
401 4B5P ACO 6.35294
402 5KD6 6C7 6.44391
403 5KD6 LBU 6.44391
404 6D6L FY4 6.47059
405 3JU6 ANP 6.48649
406 4C2G ALA ALA ALA ALA 6.50224
407 5IXG OTP 6.50888
408 6G9I CXX 6.54762
409 3CBC DBS 6.56566
410 5KHD C2E 6.59341
411 4F4P 0SB 6.59341
412 1OJZ NAD 6.60377
413 1CLU DBG 6.62651
414 1PVN MZP 6.64894
415 4G31 0WH 6.68896
416 3STK PLM 6.81818
417 2JLD AG1 6.90476
418 4JTA NAP 6.90691
419 1G51 AMO 7.05882
420 3TCT 3MI 7.08661
421 5EYP LOC 7.10059
422 5Z46 8XL 7.11974
423 4F7E 0SH 7.14286
424 6FNU FAD 7.14286
425 4P5Z Q7M 7.20222
426 2A5F NAD 7.25389
427 4K55 H6P 7.25806
428 1PI5 SM2 7.26257
429 5HWV MBN 7.29412
430 5JIC ADP 7.32601
431 5JIC N7E 7.32601
432 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 7.36842
433 5O0B 9FE 7.40741
434 6GW4 CHO 7.49186
435 5DYO FLU 7.52941
436 5LYH 7B8 7.52941
437 3K9U ACO 7.54717
438 1YKJ PHB 7.61421
439 1YKJ FAD 7.61421
440 5ECP JAA 7.62332
441 5ECP MET 7.62332
442 5ECP ATP 7.62332
443 1QIN GIP 7.65027
444 2DXU BT5 7.65957
445 1WPY BTN 7.65957
446 1QKQ MAN 7.74648
447 3E9I XAH 7.76471
448 5YJS SAL 7.76471
449 3DLG GWE 7.76471
450 5KVA SAM 7.76471
451 2I7C AAT 7.77385
452 5TUF TDC 7.82396
453 1KGI T4A 7.87402
454 1V0C KNC 7.92079
455 1V0C ACO 7.92079
456 1WNG SAH 7.92453
457 1VCE SAH 7.92453
458 5LUN OGA 7.95455
459 2WOX NDP 8
460 2WME NAP 8
461 4Z9D NAD 8
462 5D9J 0N8 8.02139
463 5UKL SIX 8.06452
464 2OD9 A1R NCA 8.11688
465 1U6R ADP 8.1579
466 2Y6O 1N1 8.24742
467 5Y72 DST 8.35821
468 3NCQ ATP 8.40336
469 1SZD APR 8.41751
470 4K3H 1OM 8.47458
471 3L9R L9R 8.48057
472 3L9R L9Q 8.48057
473 2YKL NLD 8.49057
474 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 8.52018
475 3V8S 0HD 8.53659
476 2BO4 FLC 8.56423
477 4X6F 3XU 8.57143
478 3O7B SAH 8.60656
479 3NTY 5P3 8.66873
480 3NTY NAP 8.66873
481 2VDF OCT 8.69565
482 5ETR APC 8.69565
483 5ETR 5RW 8.69565
484 1REQ DCA 8.70588
485 3ZJ0 ACO 8.73786
486 3SAO DBH 8.75
487 3RIY NAD 8.79121
488 1GT4 UNA 8.80503
489 1PVC ILE SER GLU VAL 8.82353
490 3PE2 E1B 8.90208
491 5F6U 5VK 8.9172
492 1VRP ADP 8.92388
493 4RT1 C2E 8.92857
494 3HXU A5A 8.94118
495 2J3M PRI 8.94118
496 2J3M ATP 8.94118
497 1I7M CG 8.95522
498 3JQ3 ADP 9.01639
499 5N2D 8J8 9.02778
500 5WL1 CUY 9.09091
501 5WL1 D3D 9.09091
502 3G08 FEE 9.09091
503 5U98 1KX 9.09091
504 3RUG DB6 9.09091
505 5FKP 6UL 9.09091
506 6G96 ACO 9.09091
507 4L4V 1VY 9.09091
508 2OO8 RAJ 9.14826
509 1Q3P GLU ALA GLN THR ARG LEU 9.17431
510 3GD9 GLC BGC BGC BGC 9.17647
511 1QSM ACO 9.21053
512 6H39 FGY 9.23077
513 5ZJ5 NAI 9.25926
514 5HCY 60D 9.36556
515 4YBN FAD 9.375
516 4TW7 37K 9.375
517 3H0L ADP 9.41177
518 5TVF CGQ 9.41177
519 6DW2 HD4 9.41177
520 3CV6 NAP 9.41177
521 5HES 032 9.44625
522 1ZB6 GST 9.44625
523 3QXV MTX 9.52381
524 3LF0 ATP 9.64912
525 3IWD M2T 9.67742
526 2P4T NAP 9.67742
527 3OV6 MK0 9.82368
528 2A9K NAD 9.86547
529 5D48 L96 9.86842
530 1IYK MIM 10.2041
531 1QY1 PRZ 10.3448
532 1GZF ADP 10.4265
533 1GZF NAD 10.4265
534 3DZ6 M8E 10.4478
535 2CM4 RCL 10.6667
536 4H2X G5A 10.6796
537 4MNS 2AX 10.6918
538 5EW9 5VC 10.7011
539 4R38 RBF 10.7143
540 5O3Q CMP 10.8333
541 5UIU 8CG 10.8359
542 5EYK 5U5 11.2319
543 5DK4 5BX 11.5502
544 5DK4 ATP 11.5502
545 2OFV 242 11.5523
546 3SJK LYS PRO VAL LEU ARG THR ALA 11.5789
547 3TA2 ATP 11.8644
548 5LXT GTP 11.9792
549 4NG2 OHN 12.5
550 6GNO XDI 12.5926
551 1KZN CBN 12.6829
552 1OPB RET 12.6866
553 5ALC TIQ 12.963
554 5H5F SAM 13.2479
555 4WVO 3UZ 13.2597
556 1DZK PRZ 13.3758
557 5OVC ACE GLU ALA GLN THR ARG LEU 13.5417
558 2GJ5 VD3 13.5802
559 4H2V AMP 13.6364
560 1RP0 AHZ 13.7324
561 4XIZ LPP 14.7059
562 4WK1 2BA 14.7287
563 4L2I NAD 14.8289
564 2FT0 ACO 14.8936
565 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 15.0685
566 5SVV FMN 15.3285
567 5FLJ QUE 15.5914
568 4XSH NAI 15.6425
569 1O44 852 15.7407
570 1ZNY GDP 17.3913
571 2TPI ILE VAL 18.9655
572 2V0U FMN 19.1781
573 2P1M IHP 19.375
574 2P1O NLA 19.375
575 2P1O IHP 19.375
576 3T50 FMN 21.0938
577 2RC5 FAD 21.6561
578 2J9D ADP 22.6891
579 2J9C ATP 22.6891
580 5UR6 8KM 23.7569
581 1NB9 ADP 24.4898
582 1NB9 RBF 24.4898
583 2AZ5 307 27.027
584 2XFH CL6 32.1168
Pocket No.: 2; Query (leader) PDB : 2Z3U; Ligand: CRR; Similar sites found with APoc: 54
This union binding pocket(no: 2) in the query (biounit: 2z3u.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1VAY AZA 1.74216
3 1EJH M7G 2.10526
4 1EJ4 M7G 2.10526
5 1AFS TES 2.47678
6 6CGZ HL6 2.48227
7 5ZZA LAB 2.68097
8 1E4I NFG 2.82353
9 1OKE BOG 3.05882
10 6EK3 OUL 3.61991
11 5TZO 7V7 3.7234
12 5A9A UTP 4.11523
13 2V8W MGO 4.14747
14 1P19 IMP 4.23529
15 2VN9 GVD 4.23529
16 3X01 AMP 4.3257
17 4NTM 2K8 4.95868
18 4O08 PO6 4.98442
19 4MGD 27N 5.4902
20 1J1R ADE 5.74713
21 1RQH PYR 5.88235
22 3OO6 GAL 6.11765
23 2XOM GAL GAL GAL 6.57895
24 4TV1 36M 7.17131
25 3P7I P7I 7.47664
26 1B4U DHB 7.94702
27 5HX1 UMP 7.97101
28 5LXB 7A9 8.67769
29 2OZ5 7XY 8.78378
30 4UEC MGT 8.97436
31 3MYZ TFX 9
32 5H20 GLC 10.8108
33 3ACC 5GP 11.6022
34 1PEA ACM 12
35 6FC1 MGP 12.5
36 2VGD XYP XYP 14.6789
37 3T3Z 9PL 18.1176
38 5AEW BNL 20.7447
39 2NNJ 225 22.8235
40 4JX1 CAM 30.1205
41 4JX1 CAH 30.1205
42 4L77 CNL 30.1508
43 5BXV MGP 31.8182
44 5T48 MGP 34.375
45 5T46 MGP 36.3636
46 6F8A HIS 36.5
47 5D3U TRP 39.0588
48 5XJN 88L 43.5294
49 5GWE GWM 45.1852
50 4UBS DIF 45.2926
51 3R9C ECL 46.5882
52 6GK6 MYR 46.8235
53 5L92 C0R 47.5294
54 5L92 MLA 47.5294
Pocket No.: 3; Query (leader) PDB : 2Z3U; Ligand: CRR; Similar sites found with APoc: 31
This union binding pocket(no: 3) in the query (biounit: 2z3u.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1D6H COA 1.55039
2 1DDU DDU 2.26415
3 7CPA FVF 2.28013
4 3FU7 3DM 3.22004
5 5KOD IAC 3.52941
6 3MI2 PFU 3.94265
7 4N6H EJ4 5.07246
8 5OUH L0B 5.85366
9 2JBH 5GP 6.22222
10 3BMN AX3 6.25
11 3B12 FAH 7.23684
12 3BRN SRO 8.9172
13 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 9
14 4NKW PLO 10.5882
15 4RQL SNE 16.7059
16 3MDV CL6 17.8824
17 2FDW D3G 17.8824
18 4XRZ SI6 18.8235
19 5K7K 6RJ 19.5294
20 1N6B DMZ 19.7647
21 1ZOA 140 24.7059
22 3LXI CAM 28.0285
23 1RE9 DSO 29.9517
24 6BLD DXJ 32.6969
25 2WM4 VGJ 32.9412
26 5MWE TCE 35.7143
27 3P3Z P3Z 37.5
28 3ABA FLI 40.9412
29 5FOI MY8 41.1765
30 2X5W K2B 41.1765
31 2WH8 II2 43.0588
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