Receptor
PDB id Resolution Class Description Source Keywords
2G3F 2 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE COMPLEXED WITH IM ACETIC ACID SODIUM SALT, A SUBSTRATE HOMOLOGUE BACILLUS SUBTILIS TIM BARREL HYDROLASE
Ref.: A CATALYTIC MECHANISM REVEALED BY THE CRYSTAL STRUC THE IMIDAZOLONEPROPIONASE FROM BACILLUS SUBTILIS J.BIOL.CHEM. V. 281 36929 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IZC A:1500;
B:2500;
 Valid;
Valid;
 none;
none;
 submit data
126.113 C5 H6 N2 O2 C1N=C...
ZN A:1601;
B:2601;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G3F 2 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE COMPLEXED WITH IM ACETIC ACID SODIUM SALT, A SUBSTRATE HOMOLOGUE BACILLUS SUBTILIS TIM BARREL HYDROLASE
Ref.: A CATALYTIC MECHANISM REVEALED BY THE CRYSTAL STRUC THE IMIDAZOLONEPROPIONASE FROM BACILLUS SUBTILIS J.BIOL.CHEM. V. 281 36929 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2G3F - IZC C5 H6 N2 O2 C1N=CC(=N1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2G3F - IZC C5 H6 N2 O2 C1N=CC(=N1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q09 - DI6 C6 H8 N2 O4 C(CC(=O)O)....
2 2PUZ - NIG C6 H10 N2 O4 [H]/N=CN[C....
3 2G3F - IZC C5 H6 N2 O2 C1N=CC(=N1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IZC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IZC 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: IZC; Similar ligands found: 471
No: Ligand Similarity coefficient
1 I4B 0.9817
2 PAC 0.9799
3 SPA 0.9779
4 QY9 0.9695
5 COI 0.9649
6 PZI 0.9645
7 M4T 0.9643
8 MUC 0.9637
9 HSM 0.9633
10 HIS 0.9612
11 49F 0.9590
12 OEG 0.9576
13 IOM 0.9570
14 1DU 0.9566
15 FUM 0.9561
16 PEL 0.9552
17 PEA 0.9545
18 PCA 0.9540
19 271 0.9513
20 PRO 0.9503
21 TFB 0.9501
22 RSO 0.9500
23 OAA 0.9499
24 HSO 0.9487
25 URS 0.9485
26 JZ5 0.9474
27 HY1 0.9463
28 AKG 0.9455
29 RMN 0.9448
30 NMG 0.9441
31 4MV 0.9438
32 MRZ 0.9436
33 GRO 0.9435
34 LMR 0.9426
35 S2G 0.9426
36 SIN 0.9425
37 DGL 0.9420
38 VKC 0.9419
39 173 0.9418
40 IQ0 0.9415
41 9ON 0.9406
42 K7M 0.9403
43 HYP 0.9401
44 GLN 0.9398
45 JZ7 0.9395
46 GJZ 0.9388
47 ONL 0.9382
48 DGN 0.9376
49 CEE 0.9372
50 ASP 0.9372
51 PMF 0.9370
52 2HG 0.9367
53 HX2 0.9362
54 GLU 0.9355
55 GGL 0.9355
56 2IT 0.9355
57 SYC 0.9354
58 M6W 0.9353
59 TAR 0.9340
60 MLT 0.9338
61 URO 0.9337
62 1DQ 0.9331
63 268 0.9328
64 7WG 0.9326
65 3QM 0.9325
66 51F 0.9324
67 R9M 0.9323
68 HPS 0.9318
69 BAM 0.9315
70 GLY GLY 0.9312
71 ASN 0.9307
72 H95 0.9305
73 GUA 0.9302
74 XBT 0.9290
75 9RW 0.9287
76 SMN 0.9285
77 2RH 0.9282
78 MLA 0.9277
79 HZP 0.9274
80 TLA 0.9274
81 40E 0.9272
82 4HP 0.9269
83 98J 0.9268
84 CMS 0.9267
85 54D 0.9267
86 MLI 0.9260
87 TZC 0.9259
88 BEN 0.9252
89 BNF 0.9247
90 B85 0.9245
91 YCP 0.9243
92 PBC 0.9241
93 PGA 0.9239
94 PG3 0.9238
95 URP 0.9237
96 OHP 0.9237
97 NIO 0.9233
98 3HP 0.9233
99 6PC 0.9229
100 CXF 0.9223
101 NYL 0.9221
102 GLL 0.9218
103 258 0.9212
104 R9S 0.9210
105 JBN 0.9207
106 FK8 0.9203
107 PZA 0.9203
108 BEZ 0.9202
109 AEG 0.9199
110 PYC 0.9196
111 FEH 0.9196
112 TZE 0.9196
113 N4B 0.9194
114 J0Z 0.9194
115 PMB 0.9194
116 M3H 0.9192
117 DS0 0.9191
118 HL5 0.9189
119 LEU 0.9187
120 SPV 0.9187
121 NCA 0.9187
122 7BC 0.9186
123 ISZ 0.9186
124 BNS 0.9185
125 UY7 0.9185
126 2AS 0.9184
127 2CO 0.9181
128 HDA 0.9175
129 T2C 0.9172
130 FBJ 0.9171
131 SHF 0.9170
132 I1E 0.9169
133 ITN 0.9169
134 CRN 0.9168
135 OGA 0.9167
136 AEF 0.9165
137 OK7 0.9165
138 PHE 0.9164
139 M58 0.9164
140 NBZ 0.9158
141 MAE 0.9157
142 TEO 0.9155
143 TPA 0.9149
144 3PG 0.9147
145 PPR 0.9145
146 69O 0.9144
147 4FA 0.9144
148 AL0 0.9144
149 CFI 0.9140
150 PRA 0.9139
151 UYA 0.9136
152 UNU 0.9135
153 DAS 0.9134
154 2PC 0.9133
155 SRT 0.9133
156 SS1 0.9132
157 PEP 0.9129
158 QMP 0.9128
159 ABU 0.9128
160 BHO 0.9126
161 QSC 0.9123
162 IXW 0.9123
163 NIZ 0.9123
164 DYA 0.9122
165 AHB 0.9121
166 DYT 0.9117
167 ABN 0.9115
168 3YP 0.9115
169 1DV 0.9111
170 MZ0 0.9109
171 ZBT 0.9108
172 TZL 0.9108
173 3SL 0.9106
174 HCS 0.9106
175 8OZ 0.9104
176 F9P 0.9102
177 7A8 0.9100
178 YRL 0.9098
179 1P3 0.9096
180 BHH 0.9095
181 ICB 0.9094
182 FB2 0.9094
183 SEP 0.9091
184 6NA 0.9086
185 IT2 0.9085
186 PYJ 0.9083
187 9X6 0.9082
188 PGH 0.9079
189 LT1 0.9078
190 ORN 0.9074
191 APY 0.9073
192 HCI 0.9072
193 K34 0.9069
194 THE 0.9067
195 B24 0.9064
196 X1S 0.9064
197 EHM 0.9059
198 IVA 0.9058
199 SYN 0.9057
200 PRS 0.9056
201 FOA 0.9054
202 PAH 0.9050
203 TIH 0.9050
204 2AL 0.9048
205 JFJ 0.9048
206 CSS 0.9046
207 3HG 0.9045
208 ACH 0.9043
209 7N0 0.9041
210 PY7 0.9040
211 MXN 0.9038
212 PPY 0.9036
213 DHI 0.9036
214 SNE 0.9032
215 HSE 0.9029
216 R67 0.9027
217 SMV 0.9027
218 FBM 0.9026
219 HYA 0.9026
220 PSE 0.9020
221 HTX 0.9019
222 2EZ 0.9018
223 PEQ 0.9018
224 AC0 0.9018
225 BP9 0.9017
226 KMH 0.9016
227 MLM 0.9014
228 NLE 0.9012
229 TYL 0.9009
230 9X7 0.9008
231 HIO 0.9006
232 PHU 0.9004
233 ICF 0.9003
234 1DJ 0.9002
235 9CL 0.9001
236 K6H 0.8998
237 HY3 0.8996
238 JYD 0.8995
239 FA1 0.8990
240 3LR 0.8989
241 1SA 0.8988
242 13P 0.8986
243 G3H 0.8983
244 OHG 0.8982
245 NM2 0.8982
246 9J3 0.8980
247 SSN 0.8975
248 0V5 0.8973
249 MED 0.8971
250 3PP 0.8971
251 AMC 0.8970
252 NBE 0.8969
253 NCT 0.8968
254 273 0.8959
255 G3P 0.8958
256 DHS 0.8956
257 NVA 0.8955
258 FAN 0.8954
259 HVQ 0.8954
260 BVC 0.8954
261 XYL 0.8953
262 LYS 0.8952
263 DE5 0.8951
264 CP 0.8946
265 GLY ALA 0.8940
266 IHG 0.8937
267 1GP 0.8936
268 TYE 0.8934
269 PHB 0.8929
270 HFA 0.8929
271 SS2 0.8926
272 MNN 0.8925
273 14J 0.8925
274 DAL DAL 0.8924
275 XUL 0.8922
276 282 0.8922
277 GAG 0.8920
278 LNO 0.8919
279 1MR 0.8917
280 NTN 0.8917
281 GZ3 0.8916
282 ZGL 0.8915
283 NPO 0.8913
284 KMT 0.8911
285 2LP 0.8911
286 PRI 0.8911
287 MEQ 0.8910
288 PAB 0.8908
289 BSX 0.8908
290 UGC 0.8907
291 HBD 0.8907
292 1LN 0.8906
293 S0H 0.8906
294 3C4 0.8903
295 1SH 0.8902
296 BVG 0.8901
297 RBJ 0.8901
298 HBX 0.8897
299 HBA 0.8896
300 AAE 0.8895
301 DPR 0.8894
302 MET 0.8892
303 DHY 0.8891
304 XLS 0.8881
305 261 0.8880
306 9YL 0.8880
307 0OC 0.8880
308 5AC 0.8880
309 VGL 0.8878
310 C21 0.8878
311 LEA 0.8878
312 HHH 0.8877
313 P58 0.8876
314 Q9Z 0.8872
315 GP9 0.8868
316 GWM 0.8865
317 152 0.8863
318 7VD 0.8861
319 DMG 0.8859
320 PPV 0.8856
321 4CS 0.8854
322 FOC 0.8853
323 AT3 0.8852
324 TSU 0.8848
325 FCR 0.8847
326 FPI 0.8847
327 FP1 0.8846
328 PKU 0.8844
329 FSG 0.8844
330 2TQ 0.8841
331 AC6 0.8837
332 SD4 0.8836
333 GVG 0.8836
334 NVI 0.8835
335 ILE 0.8833
336 PRY 0.8832
337 FBV 0.8830
338 JZ4 0.8829
339 PAE 0.8827
340 ORO 0.8827
341 MZW 0.8826
342 Z82 0.8823
343 449 0.8820
344 1Y6 0.8815
345 3HL 0.8814
346 PYF 0.8813
347 4NC 0.8810
348 3S5 0.8808
349 3OC 0.8808
350 AC5 0.8804
351 BUB 0.8803
352 A09 0.8801
353 FBA 0.8800
354 GOJ 0.8796
355 XCZ 0.8795
356 DCL 0.8792
357 OPE 0.8792
358 4JL 0.8790
359 HDH 0.8789
360 PBZ 0.8789
361 4PN 0.8788
362 PIS 0.8787
363 SC2 0.8786
364 51R 0.8785
365 4LR 0.8784
366 FB1 0.8784
367 MRY 0.8782
368 DOR 0.8781
369 SAN 0.8780
370 DPN 0.8779
371 APG 0.8778
372 LDP 0.8776
373 LFC 0.8776
374 PLU 0.8775
375 AOT 0.8773
376 MTL 0.8772
377 FQI 0.8772
378 MPD 0.8771
379 SOR 0.8770
380 264 0.8770
381 069 0.8767
382 R2B 0.8767
383 TP5 0.8767
384 Q03 0.8762
385 4VP 0.8762
386 4P5 0.8758
387 EDG 0.8757
388 XM0 0.8757
389 2CL 0.8756
390 717 0.8755
391 JAB 0.8745
392 3V4 0.8743
393 P2D 0.8742
394 RSF 0.8741
395 LLQ 0.8737
396 3NT 0.8737
397 C2B 0.8728
398 263 0.8728
399 ASC 0.8726
400 53C 0.8724
401 GAB 0.8723
402 ABV 0.8722
403 1AB 0.8722
404 TB6 0.8716
405 1WD 0.8711
406 3HB 0.8708
407 265 0.8708
408 42J 0.8707
409 KOJ 0.8706
410 J9T 0.8703
411 GYE 0.8702
412 60P 0.8702
413 BZX 0.8698
414 PC 0.8698
415 GLO 0.8697
416 4MA 0.8696
417 MLE 0.8695
418 2PG 0.8688
419 SAL 0.8688
420 SHA 0.8682
421 M45 0.8677
422 C2A 0.8676
423 JKE 0.8675
424 269 0.8673
425 2PN 0.8669
426 BNL 0.8669
427 OXQ 0.8663
428 H8N 0.8663
429 T9G 0.8663
430 GBD 0.8661
431 SAT 0.8660
432 7MU 0.8658
433 8K2 0.8658
434 HL4 0.8654
435 MSE 0.8653
436 BE2 0.8645
437 DTL 0.8645
438 PCT 0.8642
439 WOT 0.8640
440 CYX 0.8628
441 IMR 0.8625
442 DHB 0.8624
443 AMH 0.8623
444 R1X 0.8622
445 RIB 0.8622
446 INO 0.8620
447 278 0.8618
448 FBS 0.8609
449 KIV 0.8608
450 ALO 0.8607
451 XIY 0.8598
452 XX2 0.8598
453 KVV 0.8598
454 JZ1 0.8597
455 WCE 0.8591
456 XRG 0.8591
457 FBW 0.8590
458 3U4 0.8581
459 AAS 0.8579
460 9RH 0.8575
461 4J8 0.8574
462 ISA 0.8565
463 8EZ 0.8564
464 PAF 0.8558
465 JZ3 0.8556
466 QUS 0.8552
467 HHA 0.8551
468 R8A 0.8541
469 P9P 0.8535
470 X0V 0.8520
471 PUT 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2G3F; Ligand: IZC; 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: 2g3f.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2G3F; Ligand: IZC; 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: 2g3f.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2G3F; Ligand: IZC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2g3f.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2G3F; Ligand: IZC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2g3f.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback