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Receptor
PDB id Resolution Class Description Source Keywords
2PUZ 1.83 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROBACTERIU TUMEFACIENS WITH BOUND PRODUCT N-FORMIMINO-L-GLUTAMATE AGROBACTERIUM TUMEFACIENS STR. NYSGXRC 9252B PSI-2 IMIDAZOLONEPROPIONASE N-FORMIMINO-L-GLUTAMATE PRODUCT-BOUND STRUCTURAL GENOMICS PROTEIN STRUINITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENHYDROLASE
Ref.: X-RAY STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROB TUMEFACIENS AT 1.87 A RESOLUTION. PROTEINS V. 69 652 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:504;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FE A:500;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
MG B:502;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NIG B:600;
Valid;
none;
submit data
174.155 C6 H10 N2 O4 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PUZ 1.83 Å EC: 3.5.2.7 CRYSTAL STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROBACTERIU TUMEFACIENS WITH BOUND PRODUCT N-FORMIMINO-L-GLUTAMATE AGROBACTERIUM TUMEFACIENS STR. NYSGXRC 9252B PSI-2 IMIDAZOLONEPROPIONASE N-FORMIMINO-L-GLUTAMATE PRODUCT-BOUND STRUCTURAL GENOMICS PROTEIN STRUINITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENHYDROLASE
Ref.: X-RAY STRUCTURE OF IMIDAZOLONEPROPIONASE FROM AGROB TUMEFACIENS AT 1.87 A RESOLUTION. PROTEINS V. 69 652 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PUZ - NIG C6 H10 N2 O4 [H]/N=CN[C....
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 2PUZ - NIG C6 H10 N2 O4 [H]/N=CN[C....
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
Ligand no: 1; Ligand: NIG; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NIG 1 1
2 NFQ 0.527778 0.870968
3 NLG 0.473684 0.69697
4 AE5 0.409091 0.648649
5 3O3 0.4 0.648649
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PUZ; Ligand: NIG; Similar sites found with APoc: 33
This union binding pocket(no: 1) in the query (biounit: 2puz.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5D2R 56W 1.43198
2 3IAE D7K 1.67064
3 2GJ5 VD3 1.85185
4 4J7U NAP 2.08333
5 4J7U YTZ 2.08333
6 2RDT FMN 2.32558
7 1AL8 FMN 3.06407
8 2Q2V NAD 3.13725
9 4CZG ADP 3.16092
10 4CZG QH3 3.16092
11 4CFS HQD 3.48432
12 1SR9 KIV 3.57995
13 2Y88 2ER 4.09836
14 4A4X JUP 4.30108
15 1GT4 UNA 4.40252
16 1PI5 SM2 4.46927
17 4H8N NDP 5.16129
18 2P53 NNG 5.49738
19 6CI9 NAP 5.79151
20 3FPF MTA 6.71141
21 3FPF TNA 6.71141
22 2AG5 NAD 7.31707
23 4CQB MLI 7.39857
24 3VDB 149 7.39857
25 5FEU NAP 7.56014
26 1DZK PRZ 8.28025
27 5HA0 LTD 8.33333
28 5XGX DAS DLY 9.36709
29 4JNE ATP 10.2625
30 2C42 PYR 10.7399
31 2C42 TPP 10.7399
32 3P2E SAH 16.4444
33 3O7U O7U 17.8998
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