Receptor
PDB id Resolution Class Description Source Keywords
1GEX 2.2 Å EC: 2.6.1.9 CRYSTAL STRUCTURE OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE C WITH HISTIDINOL-PHOSPHATE ESCHERICHIA COLI ALPHA/BETA-STRUCTURE AMINOTRANSFERASE PYRIDOXAL-5-prime -PHOSPHAPHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ECOMPLEX TRANSFERASE
Ref.: STRUCTURES OF ESCHERICHIA COLI HISTIDINOL-PHOSPHATE AMINOTRANSFERASE AND ITS COMPLEXES WITH HISTIDINOL-AND N-(5'-PHOSPHOPYRIDOXYL)-L-GLUTAMATE: DOUBLE SUB RECOGNITION OF THE ENZYME. BIOCHEMISTRY V. 40 4633 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP HSA A:413;
Valid;
none;
submit data
449.273 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GEX 2.2 Å EC: 2.6.1.9 CRYSTAL STRUCTURE OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE C WITH HISTIDINOL-PHOSPHATE ESCHERICHIA COLI ALPHA/BETA-STRUCTURE AMINOTRANSFERASE PYRIDOXAL-5-prime -PHOSPHAPHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ECOMPLEX TRANSFERASE
Ref.: STRUCTURES OF ESCHERICHIA COLI HISTIDINOL-PHOSPHATE AMINOTRANSFERASE AND ITS COMPLEXES WITH HISTIDINOL-AND N-(5'-PHOSPHOPYRIDOXYL)-L-GLUTAMATE: DOUBLE SUB RECOGNITION OF THE ENZYME. BIOCHEMISTRY V. 40 4633 2001
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GEY - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
2 1FG7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 1GEX - PLP HSA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GEY - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
2 1FG7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 1GEX - PLP HSA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CQ5 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 1GEY - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
3 1FG7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 1GEX - PLP HSA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PLP HSA; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP HSA 1 1
2 SEP PLP 0.578313 0.846154
3 PLP SER 0.555556 0.80303
4 PLP CYS 0.554217 0.833333
5 LEU PLP 0.552941 0.820895
6 PLP 2TL 0.547619 0.791045
7 PLP BH2 0.541176 0.791045
8 GLU PLP 0.522727 0.820895
9 TYR PLP 0.51087 0.861538
10 PLP 0A0 0.47191 0.797101
11 PMP HSA 0.46875 0.90625
12 PLP PMP 0.461538 0.83871
13 PLP 2ML 0.456522 0.797101
14 PLP PVH 0.421569 0.823529
15 PLP 2KZ 0.402174 0.776119
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP HSA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GEX; Ligand: PLP HSA; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 1gex.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5VEQ PMP 23.8764
2 5VEQ PMP 23.8764
3 5VEQ PMP 23.8764
4 5VEQ PMP 23.8764
5 4FL0 PLP 23.8764
6 2X5D PLP 30.8989
7 1U08 PLP 34.2697
8 4R5Z PMP 39.782
9 4R5Z PMP 39.782
10 4R5Z SIN 39.782
11 4R5Z PMP 39.782
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