Receptor
PDB id Resolution Class Description Source Keywords
3DDN 2.4 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF HYDROXYPYRUVIC ACID PHOSPHATE BOUND D-3 PHOSPHOGLYCERATE DEHYDROGENASE IN MYCOBACTERIUM TUBERCULOSI MYCOBACTERIUM TUBERCULOSIS OXIDOREDUCTASE PHOSPHOGLYCERATE DEHYDROGENASE SERINE BIOSYAMINO-ACID BIOSYNTHESIS NAD
Ref.: STRUCTURAL ANALYSIS OF SUBSTRATE AND EFFECTOR BINDI MYCOBACTERIUM TUBERCULOSIS D-3-PHOSPHOGLYCERATE DEHYDROGENASE BIOCHEMISTRY V. 47 8271 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HPV B:600;
Valid;
none;
submit data
184.041 C3 H5 O7 P C(C(=...
TLA A:530;
B:530;
B:531;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DDN 2.4 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF HYDROXYPYRUVIC ACID PHOSPHATE BOUND D-3 PHOSPHOGLYCERATE DEHYDROGENASE IN MYCOBACTERIUM TUBERCULOSI MYCOBACTERIUM TUBERCULOSIS OXIDOREDUCTASE PHOSPHOGLYCERATE DEHYDROGENASE SERINE BIOSYAMINO-ACID BIOSYNTHESIS NAD
Ref.: STRUCTURAL ANALYSIS OF SUBSTRATE AND EFFECTOR BINDI MYCOBACTERIUM TUBERCULOSIS D-3-PHOSPHOGLYCERATE DEHYDROGENASE BIOCHEMISTRY V. 47 8271 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3DDN - HPV C3 H5 O7 P C(C(=O)C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3DDN - HPV C3 H5 O7 P C(C(=O)C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3DDN - HPV C3 H5 O7 P C(C(=O)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HPV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HPV 1 1
2 PGA 0.555556 0.903226
3 13P 0.4375 0.90625
4 PGH 0.424242 0.636364
5 PPR 0.413793 0.903226
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DDN; Ligand: HPV; 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: 3ddn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3DDN; Ligand: HPV; 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: 3ddn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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