Receptor
PDB id Resolution Class Description Source Keywords
5MZY 1.6 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE DECARBOXYLASE AIBA/AIBB IN COMPLEX POSSIBLE TRANSITION STATE ANALOG MYXOCOCCUS XANTHUS (STRAIN DK 1622) DECARBOXYLASE COA TRANSFERASE LIKE FOLD TRANSITION STATE ALYASE
Ref.: AIBA/AIBB INDUCES AN INTRAMOLECULAR DECARBOXYLATION ISOVALERATE BIOSYNTHESIS BY MYXOCOCCUS XANTHUS. ANGEW. CHEM. INT. ED. ENGL. V. 56 9986 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:301;
C:303;
D:303;
D:302;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ACT C:301;
C:302;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
8EZ B:301;
D:301;
 Valid;
Valid;
 none;
none;
 submit data
142.196 C8 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MZY 1.6 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE DECARBOXYLASE AIBA/AIBB IN COMPLEX POSSIBLE TRANSITION STATE ANALOG MYXOCOCCUS XANTHUS (STRAIN DK 1622) DECARBOXYLASE COA TRANSFERASE LIKE FOLD TRANSITION STATE ALYASE
Ref.: AIBA/AIBB INDUCES AN INTRAMOLECULAR DECARBOXYLATION ISOVALERATE BIOSYNTHESIS BY MYXOCOCCUS XANTHUS. ANGEW. CHEM. INT. ED. ENGL. V. 56 9986 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 5MZZ - 8EW C6 H8 O4 CC(=CC(=O)....
2 5MZY - 8EZ C8 H14 O2 C[C@H]1CCC....
3 5MZX - 4PS C11 H24 N2 O10 P2 S CC(C)(CO[P....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 5MZZ - 8EW C6 H8 O4 CC(=CC(=O)....
2 5MZY - 8EZ C8 H14 O2 C[C@H]1CCC....
3 5MZX - 4PS C11 H24 N2 O10 P2 S CC(C)(CO[P....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5MZZ - 8EW C6 H8 O4 CC(=CC(=O)....
2 5MZY - 8EZ C8 H14 O2 C[C@H]1CCC....
3 5MZX - 4PS C11 H24 N2 O10 P2 S CC(C)(CO[P....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8EZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8EZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 8EZ; Similar ligands found: 479
No: Ligand Similarity coefficient
1 SAL 0.9689
2 BE2 0.9681
3 BEZ 0.9671
4 BEN 0.9660
5 NIO 0.9655
6 ES6 0.9646
7 BAM 0.9638
8 FPK 0.9636
9 PZA 0.9609
10 6PC 0.9602
11 3U4 0.9598
12 TAR 0.9544
13 JKE 0.9526
14 YCP 0.9511
15 QSC 0.9502
16 SS2 0.9480
17 NXA 0.9471
18 HY3 0.9469
19 OEM 0.9454
20 F05 0.9435
21 4SV 0.9434
22 IP0 0.9433
23 CMS 0.9432
24 TLA 0.9431
25 3HA 0.9409
26 SC2 0.9408
27 DBH 0.9401
28 2PC 0.9398
29 SS1 0.9396
30 OAA 0.9391
31 GAG 0.9387
32 RSF 0.9379
33 MLT 0.9378
34 TEO 0.9378
35 3M0 0.9371
36 CRN 0.9369
37 IOM 0.9369
38 5AC 0.9366
39 3SK 0.9363
40 HYP 0.9356
41 DAS 0.9351
42 BDR 0.9346
43 PRZ 0.9345
44 MRZ 0.9341
45 HPA 0.9336
46 JZ3 0.9329
47 6F0 0.9326
48 CXF 0.9324
49 GRE 0.9321
50 AHB 0.9320
51 60P 0.9320
52 HJP 0.9318
53 2AS 0.9313
54 5RG 0.9306
55 PBE 0.9284
56 3V4 0.9282
57 261 0.9282
58 ZXD 0.9282
59 54G 0.9280
60 5MK 0.9278
61 AMC 0.9277
62 PYJ 0.9271
63 6M1 0.9269
64 GTQ 0.9268
65 7HP 0.9263
66 HBX 0.9262
67 RAM 0.9259
68 IFM 0.9259
69 PRO 0.9259
70 URF 0.9251
71 ABN 0.9251
72 7N0 0.9249
73 EDG 0.9248
74 R8A 0.9244
75 6M4 0.9242
76 SRT 0.9241
77 HZP 0.9240
78 3OC 0.9240
79 APY 0.9240
80 ADE 0.9237
81 SYN 0.9236
82 4CS 0.9235
83 5M0 0.9234
84 VNJ 0.9233
85 TFB 0.9232
86 FBV 0.9230
87 NK 0.9229
88 AC5 0.9225
89 1WD 0.9224
90 B24 0.9223
91 ITN 0.9223
92 RIP 0.9222
93 9TZ 0.9222
94 40E 0.9221
95 RIB 0.9219
96 F9P 0.9217
97 RSO 0.9216
98 ARW 0.9215
99 HY1 0.9212
100 FUB 0.9211
101 SYG 0.9210
102 FB1 0.9209
103 THE 0.9205
104 ASP 0.9201
105 WBU 0.9198
106 PRS 0.9196
107 273 0.9195
108 ASN 0.9193
109 32O 0.9192
110 WTZ 0.9192
111 R2B 0.9191
112 FPI 0.9189
113 AZF 0.9188
114 ASC 0.9186
115 IT2 0.9185
116 DFU 0.9185
117 JZ7 0.9181
118 AHR 0.9181
119 HHA 0.9180
120 N8P 0.9174
121 1AB 0.9174
122 1LN 0.9173
123 6CS 0.9170
124 GYE 0.9164
125 1P3 0.9162
126 LMR 0.9160
127 271 0.9160
128 JBE 0.9158
129 UY7 0.9155
130 23B 0.9154
131 4RW 0.9154
132 282 0.9152
133 FP1 0.9149
134 JZ5 0.9148
135 SJ5 0.9148
136 JYD 0.9148
137 IQ0 0.9147
138 XUL 0.9146
139 FPY 0.9145
140 0R0 0.9143
141 PEL 0.9142
142 KYD 0.9140
143 9TY 0.9140
144 2RH 0.9140
145 XM0 0.9131
146 TH7 0.9129
147 T2C 0.9127
148 GIF 0.9126
149 XLS 0.9125
150 4PW 0.9124
151 SNE 0.9124
152 QFH 0.9122
153 7A8 0.9122
154 VAL 0.9120
155 FUC 0.9119
156 PEA 0.9118
157 XYP 0.9116
158 XYS 0.9113
159 0MK 0.9112
160 DOR 0.9110
161 SVN 0.9109
162 IMR 0.9108
163 DTL 0.9108
164 7WV 0.9105
165 RBL 0.9104
166 PCA 0.9101
167 ARA 0.9099
168 34V 0.9097
169 FYU 0.9095
170 GUN 0.9094
171 1MR 0.9094
172 286 0.9093
173 R1X 0.9092
174 ARB 0.9091
175 LEU 0.9088
176 PZI 0.9079
177 AGK 0.9078
178 HMH 0.9074
179 40O 0.9073
180 CIZ 0.9073
181 OXZ 0.9066
182 OXQ 0.9066
183 KPL 0.9060
184 QDK 0.9057
185 DGJ 0.9056
186 XXR 0.9054
187 RUU 0.9053
188 UYA 0.9052
189 FUL 0.9052
190 URA 0.9048
191 KOJ 0.9047
192 FCA 0.9047
193 0R1 0.9046
194 MAE 0.9046
195 COI 0.9046
196 LDU 0.9045
197 ILE 0.9044
198 ECE 0.9044
199 T9G 0.9044
200 TZE 0.9043
201 9EW 0.9043
202 YTB 0.9042
203 51F 0.9042
204 GVH 0.9040
205 CDV 0.9039
206 IFL 0.9039
207 DFB 0.9038
208 THR 0.9035
209 URP 0.9032
210 GBD 0.9032
211 ABE 0.9032
212 GCB 0.9032
213 SOE 0.9031
214 BGC 0.9031
215 VAH 0.9030
216 RM4 0.9029
217 GAL 0.9027
218 YHO 0.9027
219 NBE 0.9026
220 NOJ 0.9025
221 OHP 0.9024
222 HDA 0.9023
223 EHM 0.9023
224 0TR 0.9022
225 DHS 0.9022
226 TMH 0.9021
227 6LW 0.9016
228 2XX 0.9015
229 PRY 0.9012
230 2LP 0.9012
231 DPF 0.9011
232 GBN 0.9010
233 MNM 0.9006
234 JZ4 0.9005
235 98J 0.9004
236 8S0 0.9001
237 JZ1 0.9001
238 3ZQ 0.8999
239 4P0 0.8998
240 LRH 0.8998
241 DIG 0.8998
242 BSX 0.8996
243 CAE 0.8995
244 HSE 0.8992
245 PEP 0.8990
246 O7U 0.8990
247 N7P 0.8989
248 4XR 0.8986
249 BDF 0.8986
250 ALO 0.8986
251 BMA 0.8986
252 R9S 0.8984
253 FUF 0.8981
254 QIC 0.8978
255 PAF 0.8976
256 192 0.8975
257 ISD 0.8974
258 XBT 0.8974
259 ALL 0.8973
260 6JN 0.8970
261 ROR 0.8966
262 2CO 0.8964
263 8EW 0.8963
264 GOO 0.8963
265 64K 0.8963
266 DMJ 0.8959
267 SPV 0.8959
268 AKB 0.8958
269 3XX 0.8957
270 RNS 0.8957
271 CTS 0.8956
272 2DR 0.8955
273 2MH 0.8951
274 GLC 0.8950
275 CAM 0.8950
276 2TQ 0.8948
277 MAN 0.8945
278 DPR 0.8945
279 SKG 0.8943
280 280 0.8942
281 ZZT 0.8941
282 HIO 0.8934
283 PY7 0.8931
284 1DU 0.8929
285 FA1 0.8929
286 KIV 0.8928
287 10L 0.8928
288 GLL 0.8926
289 NEQ 0.8924
290 Z6J 0.8921
291 GLU 0.8921
292 K6H 0.8919
293 IT9 0.8917
294 DXX 0.8917
295 H62 0.8913
296 FLA 0.8912
297 7WA 0.8911
298 F81 0.8909
299 ICC 0.8908
300 CNL 0.8908
301 6HQ 0.8906
302 DAB 0.8905
303 26D 0.8905
304 QY9 0.8904
305 G2F 0.8902
306 G3F 0.8901
307 1SA 0.8899
308 SEJ 0.8897
309 IF7 0.8897
310 3Z7 0.8897
311 6MP 0.8897
312 URQ 0.8896
313 WOO 0.8894
314 GXL 0.8892
315 LER 0.8892
316 HCS 0.8891
317 G4D 0.8889
318 23W 0.8884
319 2BN 0.8880
320 3SL 0.8877
321 MUC 0.8874
322 PEZ 0.8874
323 2PG 0.8873
324 278 0.8872
325 9HX 0.8872
326 PYF 0.8871
327 LCN 0.8870
328 SVD 0.8869
329 PPR 0.8868
330 CRS 0.8866
331 GIV 0.8866
332 MFU 0.8866
333 9DA 0.8864
334 ASO 0.8862
335 CEE 0.8862
336 ICF 0.8861
337 DUC 0.8860
338 CAH 0.8859
339 PAV 0.8858
340 MET 0.8856
341 SIN 0.8856
342 HMU 0.8856
343 I1N 0.8854
344 4JU 0.8852
345 284 0.8851
346 MZB 0.8849
347 CGB 0.8845
348 5DI 0.8844
349 HPY 0.8844
350 MFB 0.8843
351 RB5 0.8841
352 GLA 0.8837
353 NCM 0.8836
354 DGL 0.8834
355 2AL 0.8832
356 3RK 0.8832
357 PAC 0.8831
358 B0D 0.8830
359 4NG 0.8826
360 UGC 0.8822
361 24B 0.8820
362 9X7 0.8818
363 AL0 0.8816
364 7CZ 0.8815
365 1MC 0.8812
366 MCT 0.8809
367 PRI 0.8808
368 BEW 0.8802
369 TDR 0.8802
370 X09 0.8801
371 H76 0.8800
372 NOY 0.8800
373 HL5 0.8799
374 SWA 0.8797
375 AKG 0.8797
376 GAF 0.8795
377 CSS 0.8792
378 CAQ 0.8792
379 MWM 0.8791
380 4HO 0.8791
381 FUM 0.8791
382 95Z 0.8791
383 CXL 0.8790
384 BFM 0.8789
385 DZX 0.8785
386 FX1 0.8783
387 MRY 0.8781
388 FRU 0.8781
389 0V5 0.8780
390 3DY 0.8774
391 KP6 0.8770
392 6KX 0.8769
393 SEP 0.8769
394 RNT 0.8768
395 2FT 0.8767
396 DTT 0.8762
397 2H5 0.8758
398 KBG 0.8758
399 IPZ 0.8757
400 AFR 0.8756
401 47J 0.8752
402 AUD 0.8751
403 2CL 0.8749
404 DSN 0.8746
405 23A 0.8742
406 285 0.8742
407 MYQ 0.8741
408 IGA 0.8739
409 SX1 0.8734
410 CIT 0.8728
411 DGY 0.8728
412 4DX 0.8726
413 GZL 0.8723
414 MED 0.8719
415 MMA 0.8719
416 CYH 0.8713
417 TNE 0.8708
418 ADO 0.8708
419 260 0.8708
420 2KT 0.8705
421 A1U 0.8704
422 EXO 0.8703
423 ENL 0.8694
424 FUD 0.8692
425 RCO 0.8690
426 GLN 0.8689
427 2AC 0.8689
428 NSP 0.8688
429 IPM 0.8687
430 MLE 0.8687
431 HAI 0.8685
432 PTO 0.8685
433 H3M 0.8685
434 3DO 0.8676
435 FE DB1 0.8673
436 TAG 0.8669
437 DCL 0.8668
438 SVJ 0.8667
439 XYL 0.8665
440 RB0 0.8664
441 V6F 0.8663
442 PEQ 0.8659
443 5HY 0.8657
444 PGA 0.8655
445 GG6 0.8654
446 CAX 0.8654
447 SR1 0.8654
448 SER 0.8651
449 LG3 0.8649
450 RP7 0.8648
451 2RA 0.8647
452 290 0.8643
453 ICN 0.8642
454 GTR 0.8634
455 AMH 0.8633
456 TZZ 0.8633
457 DII 0.8626
458 G2H 0.8625
459 149 0.8624
460 ICB 0.8618
461 LGC 0.8612
462 HIU 0.8609
463 03W 0.8591
464 3CH 0.8588
465 KTA 0.8588
466 CYT 0.8582
467 ISE 0.8573
468 JIF 0.8572
469 FAC 0.8570
470 GLF 0.8569
471 IZC 0.8564
472 DCY 0.8561
473 LG5 0.8558
474 911 0.8551
475 BVF 0.8540
476 SFU 0.8539
477 OXE 0.8531
478 AH8 0.8517
479 PHT 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MZY; Ligand: 8EZ; 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: 5mzy.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MZY; Ligand: 8EZ; 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: 5mzy.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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