Receptor
PDB id Resolution Class Description Source Keywords
3DX5 2.12 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PROBABLE 3-DHS DEHYDRATASE ASBF INV THE PETROBACTIN SYNTHESIS FROM BACILLUS ANTHRACIS BACILLUS ANTHRACIS BETA-ALPHA BARREL PETROBACTIN SYNTHESIS ASB LOCUS STRUCTUGENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE MIDWEST CENTSTRUCTURAL GENOMICS MCSG UNKNOWN FUNCTION LYASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF ASBF: ORIGIN STEALTH 3,4-DIHYDROXYBENZOIC ACID SUBUNIT FOR PETRO BIOSYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 105 17133 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:288;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DHB A:289;
Valid;
none;
submit data
154.12 C7 H6 O4 c1cc(...
GOL A:291;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:287;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
TRS A:290;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DX5 2.12 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PROBABLE 3-DHS DEHYDRATASE ASBF INV THE PETROBACTIN SYNTHESIS FROM BACILLUS ANTHRACIS BACILLUS ANTHRACIS BETA-ALPHA BARREL PETROBACTIN SYNTHESIS ASB LOCUS STRUCTUGENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE MIDWEST CENTSTRUCTURAL GENOMICS MCSG UNKNOWN FUNCTION LYASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF ASBF: ORIGIN STEALTH 3,4-DIHYDROXYBENZOIC ACID SUBUNIT FOR PETRO BIOSYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 105 17133 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3DX5 - DHB C7 H6 O4 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3DX5 - DHB C7 H6 O4 c1cc(c(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3DX5 - DHB C7 H6 O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DHB; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DHB 1 1
2 IHB 0.514286 0.72
3 FHB 0.514286 0.72
4 4A3 0.514286 0.655172
5 CHB 0.514286 0.72
6 CUQ 0.45 0.826087
7 3HB 0.428571 0.761905
8 GDE 0.424242 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DX5; Ligand: DHB; 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: 3dx5.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3DX5; Ligand: DHB; 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: 3dx5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DX5; Ligand: DHB; 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: 3dx5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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