Receptor
PDB id Resolution Class Description Source Keywords
4GYS 2.2 Å EC: 3.5.1.54 GRANULIBACTER BETHESDENSIS ALLOPHANATE HYDROLASE CO-CRYSTALL MALONATE GRANULIBACTER BETHESDENSIS AMIDASE SIGNATURE FAMILY ENZYME HYDROLASE
Ref.: THE STRUCTURE OF ALLOPHANATE HYDROLASE FROM GRANULI BETHESDENSIS PROVIDES INSIGHTS INTO SUBSTRATE SPECI THE AMIDASE SIGNATURE FAMILY. BIOCHEMISTRY V. 52 690 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI B:1000;
B:1001;
A:1001;
A:1000;
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
4GYS 2.2 Å EC: 3.5.1.54 GRANULIBACTER BETHESDENSIS ALLOPHANATE HYDROLASE CO-CRYSTALL MALONATE GRANULIBACTER BETHESDENSIS AMIDASE SIGNATURE FAMILY ENZYME HYDROLASE
Ref.: THE STRUCTURE OF ALLOPHANATE HYDROLASE FROM GRANULI BETHESDENSIS PROVIDES INSIGHTS INTO SUBSTRATE SPECI THE AMIDASE SIGNATURE FAMILY. BIOCHEMISTRY V. 52 690 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GYS - 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 4GYS - 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 4GYS - 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 : 4GYS; 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: 4gys.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4GYS; 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: 4gys.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4GYS; 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: 4gys.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4GYS; 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: 4gys.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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