Receptor
PDB id Resolution Class Description Source Keywords
3GIQ 1.8 Å EC: 3.5.1.82 CRYSTAL STRUCTURE OF N-ACYL-D-GLUTAMATE DEACYLASE FROM BORDETELLA BRONCHISEPTICA COMPLEXED WITH ZINC AND P HOSPHONATE INHIBITOR, A MIMIC OF THE REACTION TETRAHEDRAL IN TERMEDIATE. BORDETELLA BRONCHISEPTICA N-ACYL-D-GLUTAMATE DEACYLASE AMIDOHYDROLASE REACTION INTERMEDIATE HYDROLASE
Ref.: ANNOTATING ENZYMES OF UNCERTAIN FUNCTION: THE DEACYLATION OF D-AMINO ACIDS BY MEMBERS OF THE AMIDOHYDROLASE SUPERFAMILY. BIOCHEMISTRY V. 48 6469 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G01 A:481;
B:481;
 Valid;
Valid;
 none;
none;
 submit data
225.136 C6 H12 N O6 P C[P@]...
ZN A:482;
A:483;
B:482;
B:483;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GIQ 1.8 Å EC: 3.5.1.82 CRYSTAL STRUCTURE OF N-ACYL-D-GLUTAMATE DEACYLASE FROM BORDETELLA BRONCHISEPTICA COMPLEXED WITH ZINC AND P HOSPHONATE INHIBITOR, A MIMIC OF THE REACTION TETRAHEDRAL IN TERMEDIATE. BORDETELLA BRONCHISEPTICA N-ACYL-D-GLUTAMATE DEACYLASE AMIDOHYDROLASE REACTION INTERMEDIATE HYDROLASE
Ref.: ANNOTATING ENZYMES OF UNCERTAIN FUNCTION: THE DEACYLATION OF D-AMINO ACIDS BY MEMBERS OF THE AMIDOHYDROLASE SUPERFAMILY. BIOCHEMISTRY V. 48 6469 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GIQ - G01 C6 H12 N O6 P C[P@](=O)(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GIQ - G01 C6 H12 N O6 P C[P@](=O)(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GIQ - G01 C6 H12 N O6 P C[P@](=O)(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G01; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 G01 1 1
2 NLG 0.487179 0.634146
3 M3R 0.479167 0.77551
4 D6E 0.446809 0.630435
5 2GB 0.42623 0.72
6 2G2 0.416667 0.72
7 MUD 0.408163 0.638298
8 2G4 0.403226 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: G01; Similar ligands found: 44
No: Ligand Similarity coefficient
1 DG2 0.9422
2 G88 0.9258
3 EKN 0.9174
4 NLQ 0.9173
5 HCA 0.9126
6 ALF 3PG 0.9118
7 GLY LEU 0.9109
8 HCT 0.9108
9 NIG 0.9089
10 ALA LEU 0.9064
11 CDT 0.9014
12 CIT 0.8987
13 ALA GLU 0.8968
14 MZM 0.8948
15 ALA ZGL 0.8947
16 DMA 0.8905
17 IPR 0.8893
18 AQK 0.8891
19 ALA GLN 0.8886
20 U7E 0.8871
21 BGT 0.8869
22 ALA DGL 0.8853
23 XQB 0.8811
24 AVO 0.8779
25 FWB 0.8760
26 0GY 0.8741
27 AOR 0.8717
28 AQQ 0.8706
29 ALA VAL ALA 0.8704
30 BRR 0.8698
31 AOZ 0.8698
32 NQM 0.8695
33 RSM 0.8693
34 S3P 0.8674
35 AME 0.8674
36 C26 0.8661
37 GLY MET 0.8659
38 DI9 0.8654
39 DY8 0.8625
40 OKM 0.8615
41 5XW 0.8607
42 7UC 0.8576
43 DED 0.8564
44 GSE 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GIQ; Ligand: G01; 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: 3giq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GIQ; Ligand: G01; 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: 3giq.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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