Receptor
PDB id Resolution Class Description Source Keywords
3BLE 2 Å EC: 2.3.3.13 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LICMS IN COMPLE MALONATE LEPTOSPIRA INTERROGANS TIM BARREL LICMSN SUBSTRATE SPECIFICITY ACYLTRANSFERASE ACID BIOSYNTHESIS BRANCHED-CHAIN AMINO ACID BIOSYNTHESIS BIOSYNTHESIS TRANSFERASE
Ref.: MOLECULAR BASIS OF THE SUBSTRATE SPECIFICITY AND TH CATALYTIC MECHANISM OF CITRAMALATE SYNTHASE FROM LE INTERROGANS BIOCHEM.J. V. 415 45 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:701;
Valid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
ZN A:1003;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BLI 2.5 Å EC: 2.3.3.13 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LICMS IN COMPLEXED WITH PYRUVATE AND ACETYL-COA LEPTOSPIRA INTERROGANS TIM BARREL LICMSN SUBSTRATE SPECIFICITY ACYLTRANSFERASE AMINO-ACID BIOSYNTHESIS BRANCHED-CHAIN AMINO ACID BIOSYNTHESIS LEUCINE BIOSYNTHESIS TRANSFERASE
Ref.: MOLECULAR BASIS OF THE SUBSTRATE SPECIFICITY AND THE CATALYTIC MECHANISM OF CITRAMALATE SYNTHASE FROM LEPTOSPIRA INTERROGANS BIOCHEM.J. V. 415 45 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BLI - PYR C3 H4 O3 CC(=O)C(=O....
2 3BLE - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BLI - PYR C3 H4 O3 CC(=O)C(=O....
2 3BLE - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BLI - PYR C3 H4 O3 CC(=O)C(=O....
2 3BLE - 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 : 3BLI; Ligand: ACO; 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: 3bli.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3BLI; Ligand: ACO; 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: 3bli.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3BLI; Ligand: PYR; 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: 3bli.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3BLI; Ligand: PYR; 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: 3bli.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback