Receptor
PDB id Resolution Class Description Source Keywords
4CP8 2.5 Å EC: 3.5.1.54 STRUCTURE OF THE AMIDASE DOMAIN OF ALLOPHANATE HYDROLASE FROM PSEUDOMONAS SP STRAIN ADP PSEUDOMONAS SP. HYDROLASE ATRAZINE BREAKDOWN PATHWAY
Ref.: X-RAY STRUCTURE OF THE AMIDASE DOMAIN OF ATZF, THE ALLOPHANATE HYDROLASE FROM THE CYANURIC ACID-MINERA MULTIENZYME COMPLEX. APPL.ENVIRON.MICROBIOL. V. 81 470 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI C:1466;
D:1465;
A:1466;
B:1465;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CP8 2.5 Å EC: 3.5.1.54 STRUCTURE OF THE AMIDASE DOMAIN OF ALLOPHANATE HYDROLASE FROM PSEUDOMONAS SP STRAIN ADP PSEUDOMONAS SP. HYDROLASE ATRAZINE BREAKDOWN PATHWAY
Ref.: X-RAY STRUCTURE OF THE AMIDASE DOMAIN OF ATZF, THE ALLOPHANATE HYDROLASE FROM THE CYANURIC ACID-MINERA MULTIENZYME COMPLEX. APPL.ENVIRON.MICROBIOL. V. 81 470 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4CP8 - MLI C3 H2 O4 C(C(=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 4CP8 - MLI C3 H2 O4 C(C(=O)[O-....
50% 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 4CP8 - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CP8; Ligand: MLI; 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: 4cp8.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CP8; Ligand: MLI; 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: 4cp8.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CP8; Ligand: MLI; 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: 4cp8.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4CP8; Ligand: MLI; 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: 4cp8.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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