Receptor
PDB id Resolution Class Description Source Keywords
2Q09 1.97 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM ENVIRONMENTA WITH BOUND INHIBITOR 3-(2,5-DIOXO-IMIDAZOLIDIN-4-YL)-PROPIO UNIDENTIFIED 9252H NYSGXRC IMIDAZOLONEPROPIONASE 3-(2 5-DIOXO-IMIDAZO4YL)-PROPIONIC ACID PSI-2 COMMUNITY STRUCTURAL GENOMICS STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUGENOMICS HYDROLASE
Ref.: A COMMON CATALYTIC MECHANISM FOR PROTEINS OF THE HU FAMILY. BIOCHEMISTRY V. 47 5608 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DI6 A:600;
Valid;
none;
submit data
172.139 C6 H8 N2 O4 C(CC(...
FE A:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q09 1.97 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM ENVIRONMENTA WITH BOUND INHIBITOR 3-(2,5-DIOXO-IMIDAZOLIDIN-4-YL)-PROPIO UNIDENTIFIED 9252H NYSGXRC IMIDAZOLONEPROPIONASE 3-(2 5-DIOXO-IMIDAZO4YL)-PROPIONIC ACID PSI-2 COMMUNITY STRUCTURAL GENOMICS STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUGENOMICS HYDROLASE
Ref.: A COMMON CATALYTIC MECHANISM FOR PROTEINS OF THE HU FAMILY. BIOCHEMISTRY V. 47 5608 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Q09 - DI6 C6 H8 N2 O4 C(CC(=O)O)....
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 2Q09 - DI6 C6 H8 N2 O4 C(CC(=O)O)....
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: DI6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DI6 1 1
2 5HY 0.540541 0.93617
Similar Ligands (3D)
Ligand no: 1; Ligand: DI6; Similar ligands found: 370
No: Ligand Similarity coefficient
1 Q9Z 0.9442
2 HJH 0.9439
3 LSQ 0.9417
4 AX3 0.9409
5 P80 0.9385
6 263 0.9359
7 QUS 0.9348
8 6FZ 0.9322
9 TCA 0.9298
10 GZ2 0.9265
11 EV0 0.9261
12 DHY 0.9245
13 KTA 0.9227
14 3C4 0.9222
15 6Q3 0.9212
16 E35 0.9211
17 2HC 0.9210
18 NCT 0.9206
19 P7Y 0.9199
20 9KH 0.9198
21 OGA 0.9194
22 F06 0.9190
23 XQI 0.9189
24 CXP 0.9177
25 PO6 0.9165
26 M1Z 0.9156
27 TYL 0.9154
28 14W 0.9151
29 SAF 0.9151
30 IAC 0.9143
31 FK8 0.9135
32 HL4 0.9134
33 OOG 0.9133
34 ZZ2 0.9132
35 M4T 0.9126
36 61M 0.9120
37 YTX 0.9119
38 SHI 0.9112
39 HCI 0.9112
40 NLQ 0.9107
41 PJL 0.9104
42 AS3 0.9101
43 NFM 0.9100
44 HSX 0.9096
45 STT 0.9086
46 R2P 0.9082
47 OHJ 0.9076
48 BZE 0.9067
49 11C 0.9063
50 S2P 0.9061
51 PBA 0.9058
52 7N0 0.9057
53 PHE 0.9051
54 TZM 0.9051
55 3HP 0.9048
56 6J5 0.9045
57 BNF 0.9044
58 069 0.9039
59 PPY 0.9035
60 HPT 0.9035
61 O2Y 0.9035
62 JFJ 0.9034
63 BNL 0.9034
64 CTV 0.9027
65 GLU 0.9025
66 B2J 0.9024
67 BHU 0.9024
68 TT4 0.9023
69 DLT 0.9019
70 HIC 0.9015
71 MES 0.9012
72 7C3 0.9010
73 5OO 0.9010
74 6TZ 0.9009
75 HQJ 0.9006
76 N9J 0.9006
77 AKG 0.9005
78 DGL 0.9005
79 CFA 0.9004
80 N4B 0.9001
81 C53 0.9000
82 9W5 0.8997
83 HIS 0.8995
84 FOM 0.8993
85 NFA 0.8990
86 9BF 0.8990
87 ENO 0.8990
88 QBM 0.8989
89 TSS 0.8987
90 PRA 0.8980
91 268 0.8977
92 EN1 0.8976
93 HC4 0.8975
94 MUK 0.8973
95 DGN 0.8973
96 EGR 0.8971
97 MP5 0.8967
98 TYE 0.8961
99 B40 0.8960
100 L5V 0.8959
101 YPN 0.8959
102 T2D 0.8959
103 XDK 0.8957
104 XIZ 0.8954
105 BPY 0.8950
106 NIG 0.8949
107 LYS 0.8947
108 HFA 0.8945
109 NAG 0.8945
110 DLY 0.8942
111 0W1 0.8941
112 TRP 0.8940
113 LDP 0.8938
114 DHC 0.8936
115 NYL 0.8935
116 3CR 0.8935
117 A29 0.8935
118 8XL 0.8934
119 7BC 0.8933
120 J0Z 0.8933
121 R20 0.8932
122 54F 0.8932
123 B85 0.8930
124 TSR 0.8929
125 NPA 0.8925
126 LYL 0.8924
127 JRB 0.8924
128 HNL 0.8920
129 4TP 0.8914
130 TYR 0.8914
131 DHM 0.8912
132 ASC 0.8911
133 LT1 0.8909
134 ARG 0.8907
135 45L 0.8903
136 SR1 0.8902
137 HF2 0.8901
138 258 0.8901
139 DZA 0.8900
140 6J9 0.8898
141 FER 0.8897
142 N3W 0.8897
143 IOP 0.8896
144 6DP 0.8895
145 DPN 0.8895
146 NQH 0.8894
147 EYV 0.8893
148 AOT 0.8893
149 1X4 0.8891
150 3YP 0.8891
151 IOS 0.8888
152 URO 0.8888
153 K7M 0.8887
154 9YT 0.8886
155 LNR 0.8881
156 42J 0.8880
157 3H2 0.8879
158 RP3 0.8878
159 RUY 0.8877
160 505 0.8875
161 NLG 0.8872
162 7ZL 0.8870
163 UN1 0.8870
164 TOH 0.8867
165 TB8 0.8867
166 EXD 0.8866
167 X1R 0.8866
168 HNK 0.8866
169 2HG 0.8866
170 AEG 0.8865
171 3IL 0.8861
172 OMD 0.8859
173 3OL 0.8858
174 3PG 0.8857
175 L21 0.8857
176 L99 0.8855
177 2FT 0.8851
178 RP5 0.8849
179 GLN 0.8848
180 1BN 0.8848
181 IVL 0.8847
182 DAH 0.8845
183 1L5 0.8840
184 8SZ 0.8839
185 PEL 0.8838
186 DEW 0.8837
187 YOF 0.8836
188 MNP 0.8836
189 S7A 0.8835
190 8U3 0.8834
191 EOL 0.8833
192 AMQ 0.8833
193 B41 0.8830
194 ALE 0.8829
195 OW7 0.8829
196 HPP 0.8828
197 N7I 0.8827
198 C2Y 0.8826
199 BSX 0.8826
200 SLY 0.8826
201 GNW 0.8821
202 CIY 0.8819
203 KTW 0.8819
204 S0W 0.8818
205 E4P 0.8818
206 3OM 0.8816
207 HSO 0.8814
208 TZP 0.8809
209 9F8 0.8805
210 EDR 0.8804
211 URS 0.8804
212 8GL 0.8803
213 KYN 0.8802
214 RKV 0.8802
215 J9T 0.8801
216 ABF 0.8800
217 3EB 0.8795
218 NNH 0.8793
219 463 0.8793
220 PRZ 0.8792
221 4A5 0.8790
222 PBN 0.8790
223 DTR 0.8785
224 8NX 0.8784
225 P81 0.8783
226 NF3 0.8783
227 TU0 0.8778
228 MPV 0.8774
229 TIH 0.8773
230 ONR 0.8772
231 GLR 0.8771
232 3HG 0.8770
233 R1P 0.8769
234 2IT 0.8767
235 4OG 0.8767
236 264 0.8767
237 2LT 0.8767
238 R5P 0.8767
239 SRO 0.8765
240 HHI 0.8765
241 M3Q 0.8764
242 CLU 0.8763
243 AEH 0.8762
244 4LV 0.8762
245 7OD 0.8761
246 I4B 0.8760
247 MMS 0.8759
248 I2E 0.8757
249 DIR 0.8755
250 PEA 0.8754
251 H7Y 0.8753
252 5WN 0.8752
253 7QD 0.8746
254 G6P 0.8746
255 XEN 0.8746
256 LVD 0.8745
257 JND 0.8745
258 M3P 0.8744
259 S24 0.8743
260 6HP 0.8742
261 8WT 0.8741
262 S2G 0.8735
263 BG6 0.8733
264 MQB 0.8732
265 MEQ 0.8731
266 3B4 0.8729
267 6ZX 0.8727
268 PRY 0.8727
269 VM1 0.8725
270 5XA 0.8725
271 2KU 0.8724
272 KTJ 0.8721
273 DER 0.8717
274 MXD 0.8713
275 B4O 0.8713
276 PSJ 0.8712
277 0F9 0.8711
278 JZ4 0.8710
279 HXY 0.8710
280 DXP 0.8708
281 1A7 0.8708
282 DEE 0.8705
283 VXX 0.8705
284 PPT 0.8705
285 4LW 0.8705
286 KDG 0.8701
287 YIE 0.8701
288 FP1 0.8697
289 PLP 0.8696
290 KMH 0.8694
291 GRQ 0.8693
292 FPL 0.8692
293 SSC 0.8691
294 GRF 0.8691
295 92P 0.8688
296 GCO 0.8686
297 C82 0.8684
298 ZON 0.8684
299 LYN 0.8683
300 49F 0.8681
301 ITW 0.8679
302 AHC 0.8678
303 363 0.8678
304 BPW 0.8677
305 7UZ 0.8676
306 KPA 0.8674
307 9ON 0.8673
308 2LY 0.8672
309 C0W 0.8672
310 BY5 0.8670
311 S3C 0.8669
312 PMV 0.8668
313 AHN 0.8667
314 FF2 0.8666
315 RLG 0.8663
316 5SP 0.8662
317 PLR 0.8660
318 4XF 0.8659
319 APS 0.8656
320 3QM 0.8656
321 0LH 0.8652
322 SDD 0.8651
323 1PS 0.8650
324 HY1 0.8648
325 6HO 0.8648
326 5OY 0.8644
327 2EH 0.8642
328 7MU 0.8639
329 3QO 0.8637
330 DX5 0.8637
331 S8V 0.8634
332 F6P 0.8634
333 ZME 0.8632
334 M6P 0.8630
335 DMA 0.8630
336 3LR 0.8630
337 5OF 0.8628
338 BHH 0.8620
339 K80 0.8620
340 M45 0.8620
341 DED 0.8618
342 SSM 0.8615
343 QMS 0.8614
344 TOM 0.8613
345 K3Y 0.8602
346 BK9 0.8597
347 1QP 0.8594
348 G1P 0.8593
349 AVA 0.8592
350 X6P 0.8591
351 ZIQ 0.8590
352 K6V 0.8589
353 API 0.8585
354 3LJ 0.8583
355 ONL 0.8579
356 EMZ 0.8577
357 DEZ 0.8573
358 1Z6 0.8572
359 TMG 0.8571
360 PXP 0.8567
361 EUG 0.8566
362 CCB 0.8564
363 9UL 0.8562
364 M5H 0.8561
365 ALA GLU 0.8560
366 OKM 0.8539
367 M74 0.8518
368 KG1 0.8516
369 LRW 0.8513
370 SYM 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q09; Ligand: DI6; 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: 2q09.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Q09; Ligand: DI6; 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: 2q09.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Q09; Ligand: DI6; 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: 2q09.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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