Receptor
PDB id Resolution Class Description Source Keywords
1KC7 2.2 Å EC: 2.7.9.1 PYRUVATE PHOSPHATE DIKINASE WITH BOUND MG-PHOSPHONOPYRUVATE CLOSTRIDIUM SYMBIOSUM TRANSFERASE PHOSPHOTRANSFERASE KINASE PHOSPHONOPYRUVATE I
Ref.: PYRUVATE SITE OF PYRUVATE PHOSPHATE DIKINASE: CRYST STRUCTURE OF THE ENZYME-PHOSPHONOPYRUVATE COMPLEX, MUTANT ANALYSIS BIOCHEMISTRY V. 41 780 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PPR A:1000;
Valid;
none;
Ki = 3 uM
168.042 C3 H5 O6 P C(C(=...
SO4 A:1002;
A:1003;
A:1004;
A:1005;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KC7 2.2 Å EC: 2.7.9.1 PYRUVATE PHOSPHATE DIKINASE WITH BOUND MG-PHOSPHONOPYRUVATE CLOSTRIDIUM SYMBIOSUM TRANSFERASE PHOSPHOTRANSFERASE KINASE PHOSPHONOPYRUVATE I
Ref.: PYRUVATE SITE OF PYRUVATE PHOSPHATE DIKINASE: CRYST STRUCTURE OF THE ENZYME-PHOSPHONOPYRUVATE COMPLEX, MUTANT ANALYSIS BIOCHEMISTRY V. 41 780 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KC7 Ki = 3 uM PPR C3 H5 O6 P C(C(=O)C(=....
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: PPR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PPR 1 1
2 PAE 0.571429 0.866667
3 DCO 0.5 0.722222
4 KPA 0.5 0.875
5 7VD 0.478261 0.806452
6 HPV 0.413793 0.903226
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KC7; Ligand: PPR; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1kc7.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2XZ9 PYR 47.8395
Pocket No.: 2; Query (leader) PDB : 1KC7; Ligand: PPR; 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: 1kc7.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KC7; Ligand: PPR; 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: 1kc7.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1KC7; Ligand: PPR; 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: 1kc7.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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