Receptor
PDB id Resolution Class Description Source Keywords
1VBH 2.3 Å EC: 2.7.9.1 PYRUVATE PHOSPHATE DIKINASE WITH BOUND MG-PEP FROM MAIZE ZEA MAYS TRANSFERASE MAIZE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INIRSGI STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURES OF PYRUVATE PHOSPHATE DIKINASE F REVEALED AN ALTERNATIVE CONFORMATION IN THE SWIVELI MOTION BIOCHEMISTRY V. 44 1136 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2000;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PEP A:3000;
Valid;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
SO4 A:3001;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VBH 2.3 Å EC: 2.7.9.1 PYRUVATE PHOSPHATE DIKINASE WITH BOUND MG-PEP FROM MAIZE ZEA MAYS TRANSFERASE MAIZE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INIRSGI STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURES OF PYRUVATE PHOSPHATE DIKINASE F REVEALED AN ALTERNATIVE CONFORMATION IN THE SWIVELI MOTION BIOCHEMISTRY V. 44 1136 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VBH - PEP C3 H5 O6 P C=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 1 families.
1 1KC7 Ki = 3 uM PPR C3 H5 O6 P C(C(=O)C(=....
2 1VBH - PEP C3 H5 O6 P C=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 1 families.
1 1KC7 Ki = 3 uM PPR C3 H5 O6 P C(C(=O)C(=....
2 1VBH - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VBH; Ligand: PEP; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1vbh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2XZ9 PYR 46.6049
2 2XZ9 PYR 46.6049
Pocket No.: 2; Query (leader) PDB : 1VBH; Ligand: PEP; 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: 1vbh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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