Receptor
PDB id Resolution Class Description Source Keywords
1FC4 2 Å EC: 2.3.1.29 2-AMINO-3-KETOBUTYRATE COA LIGASE ESCHERICHIA COLI 2-AMINO-3-KETOBUTYRATE COA LIGASE PYRIDOXAL PHOSPHATE COENTRANSFERASE STRUCTURAL GENOMICS MONTREAL-KINGSTON BACTERISTRUCTURAL GENOMICS INITIATIVE BSGI
Ref.: THREE-DIMENSIONAL STRUCTURE OF 2-AMINO-3-KETOBUTYRA LIGASE FROM ESCHERICHIA COLI COMPLEXED WITH A PLP-S INTERMEDIATE: INFERRED REACTION MECHANISM. BIOCHEMISTRY V. 40 5151 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKB PLP A:1200;
B:1202;
 Valid;
Valid;
 none;
none;
 submit data
348.248 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FC4 2 Å EC: 2.3.1.29 2-AMINO-3-KETOBUTYRATE COA LIGASE ESCHERICHIA COLI 2-AMINO-3-KETOBUTYRATE COA LIGASE PYRIDOXAL PHOSPHATE COENTRANSFERASE STRUCTURAL GENOMICS MONTREAL-KINGSTON BACTERISTRUCTURAL GENOMICS INITIATIVE BSGI
Ref.: THREE-DIMENSIONAL STRUCTURE OF 2-AMINO-3-KETOBUTYRA LIGASE FROM ESCHERICHIA COLI COMPLEXED WITH A PLP-S INTERMEDIATE: INFERRED REACTION MECHANISM. BIOCHEMISTRY V. 40 5151 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FC4 - AKB PLP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FC4 - AKB PLP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1FC4 - AKB PLP n/a n/a
2 3A2B - SER PLP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AKB PLP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AKB PLP 1 1
2 PLP AOA 0.512821 0.828125
Similar Ligands (3D)
Ligand no: 1; Ligand: AKB PLP; Similar ligands found: 9
No: Ligand Similarity coefficient
1 DCS 0.9173
2 P1T 0.9101
3 PLP 2ML 0.9058
4 FOO 0.8946
5 PLG 0.8793
6 AN7 0.8727
7 SCF 0.8654
8 GLY PLP 0.8621
9 PLP GLY 0.8585
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FC4; Ligand: AKB PLP; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1fc4.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2WK9 PLG 40.617
2 5TXR PLP 47.3815
3 5TXR PLP 47.3815
Pocket No.: 2; Query (leader) PDB : 1FC4; Ligand: AKB PLP; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1fc4.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2WK9 PLG 40.617
2 5TXR PLP 47.3815
3 5TXR PLP 47.3815
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