Receptor
PDB id Resolution Class Description Source Keywords
1M1B 2.25 Å EC: 5.4.2.9 CRYSTAL STRUCTURE OF PHOSPHOENOLPYRUVATE MUTASE COMPLEXED WI SULFOPYRUVATE MYTILUS EDULIS PHOSPHOENOLPYRUVATE MUTASE PEP MUTASE SULFOPYRUVATE ISOME
Ref.: DISSOCIATIVE PHOSPHORYL TRANSFER IN PEP MUTASE CATA STRUCTURE OF THE ENZYME/SULFOPYRUVATE COMPLEX AND K PROPERTIES OF MUTANTS. BIOCHEMISTRY V. 41 10270 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:998;
B:999;
Part of Protein;
Part of Protein;
none;
none;
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24.305 Mg [Mg+2...
SPV A:996;
B:997;
Valid;
Valid;
none;
none;
Ki = 22 uM
168.125 C3 H4 O6 S C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M1B 2.25 Å EC: 5.4.2.9 CRYSTAL STRUCTURE OF PHOSPHOENOLPYRUVATE MUTASE COMPLEXED WI SULFOPYRUVATE MYTILUS EDULIS PHOSPHOENOLPYRUVATE MUTASE PEP MUTASE SULFOPYRUVATE ISOME
Ref.: DISSOCIATIVE PHOSPHORYL TRANSFER IN PEP MUTASE CATA STRUCTURE OF THE ENZYME/SULFOPYRUVATE COMPLEX AND K PROPERTIES OF MUTANTS. BIOCHEMISTRY V. 41 10270 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S 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 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
3 1XG3 - PYR C3 H4 O3 CC(=O)C(=O....
4 2DUA Ki = 2 mM OXL C2 O4 C(=O)(C(=O....
5 2HJP - PPR C3 H5 O6 P C(C(=O)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SPV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SPV 1 1
2 SAT 0.571429 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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