Receptor
PDB id Resolution Class Description Source Keywords
3P7I 1.71 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHND IN COMPLEX WITH 2 AMINOETHYL PHOSPHONATE ESCHERICHIA COLI UTI89 PHOSPHONATE BINDING PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF THE ESCHERICHIA COLI PHOSPHONATE BINDI PROTEIN PHND AND RATIONALLY OPTIMIZED PHOSPHONATE BIOSENSORS. J.MOL.BIOL. V. 414 356 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:314;
A:315;
A:316;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
P7I A:313;
Valid;
none;
Kd ~ 5 nM
125.064 C2 H8 N O3 P C(CP(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P7I 1.71 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHND IN COMPLEX WITH 2 AMINOETHYL PHOSPHONATE ESCHERICHIA COLI UTI89 PHOSPHONATE BINDING PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF THE ESCHERICHIA COLI PHOSPHONATE BINDI PROTEIN PHND AND RATIONALLY OPTIMIZED PHOSPHONATE BIOSENSORS. J.MOL.BIOL. V. 414 356 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3P7I Kd ~ 5 nM P7I C2 H8 N O3 P C(CP(=O)(O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3P7I Kd ~ 5 nM P7I C2 H8 N O3 P C(CP(=O)(O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3P7I Kd ~ 5 nM P7I C2 H8 N O3 P C(CP(=O)(O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P7I; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P7I 1 1
2 2HE 0.5 0.675676
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P7I; Ligand: P7I; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3p7i.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5LV1 78T 30.3571
Pocket No.: 2; Query (leader) PDB : 3P7I; Ligand: P7I; 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: 3p7i.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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