Receptor
PDB id Resolution Class Description Source Keywords
2G2Y 2.26 Å EC: 2.3.1.39 STRUCTURE OF E.COLI FABD COMPLEXED WITH MALONATE ESCHERICHIA COLI COMPLEX TRANSFERASE
Ref.: MAPPING THE ACTIVE SITE OF ESCHERICHIA COLI MALONYL CARRIER PROTEIN TRANSACYLASE (FABD) BY PROTEIN CRYSTALLOGRAPHY. ACTA CRYSTALLOGR.,SECT.D V. 62 613 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1001;
Valid;
none;
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102.046 C3 H2 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G2Y 2.26 Å EC: 2.3.1.39 STRUCTURE OF E.COLI FABD COMPLEXED WITH MALONATE ESCHERICHIA COLI COMPLEX TRANSFERASE
Ref.: MAPPING THE ACTIVE SITE OF ESCHERICHIA COLI MALONYL CARRIER PROTEIN TRANSACYLASE (FABD) BY PROTEIN CRYSTALLOGRAPHY. ACTA CRYSTALLOGR.,SECT.D V. 62 613 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2G2Y - 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 2 families.
1 2G2Y - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2G2Y - MLI C3 H2 O4 C(C(=O)[O-....
2 6APF - CIT C6 H8 O7 C(C(=O)O)C....
3 6APG - 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 : 2G2Y; 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: 2g2y.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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