Receptor
PDB id Resolution Class Description Source Keywords
2OI2 2.5 Å EC: 2.7.1.36 STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE STREPTOCOCCUS PNEUMONIAE ENZYME-INHIBITOR COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE. PROTEIN SCI. V. 16 983 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DP6 A:300;
Valid;
none;
Kd = 500 nM
308.117 C6 H14 O10 P2 C[C@@...
MG A:400;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OI2 2.5 Å EC: 2.7.1.36 STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE STREPTOCOCCUS PNEUMONIAE ENZYME-INHIBITOR COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE. PROTEIN SCI. V. 16 983 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2OI2 Kd = 500 nM DP6 C6 H14 O10 P2 C[C@@](CCO....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2OI2 Kd = 500 nM DP6 C6 H14 O10 P2 C[C@@](CCO....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2X7I - CIT C6 H8 O7 C(C(=O)O)C....
2 2OI2 Kd = 500 nM DP6 C6 H14 O10 P2 C[C@@](CCO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DP6; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DP6 1 1
2 PMV 0.731707 1
3 BHI 0.644444 0.878049
4 FM0 0.58 0.853659
5 P23 0.422222 0.794872
6 1CO 0.422222 0.625
7 IPR 0.416667 0.8
8 0CJ 0.411765 0.85
9 IPE 0.408163 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OI2; Ligand: DP6; 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: 2oi2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2OI2; Ligand: DP6; 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: 2oi2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback