Receptor
PDB id Resolution Class Description Source Keywords
5ME4 1.52 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF HTXB FROM PSEUDOMONAS STUTZERI IN COMPLEX W HYPOPHOSPHITE TO 1.52 A RESOLUTION PSEUDOMONAS STUTZERI ABC-TRANSPORTER PERIPLAMIC BINDING PROTEIN PHOSPHITE HYPOPHOSPHITE TRANSPORT PROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HP4 A:302;
A:301;
Invalid;
Valid;
none;
none;
submit data
64.988 H2 O2 P [O-][...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ME4 1.52 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF HTXB FROM PSEUDOMONAS STUTZERI IN COMPLEX W HYPOPHOSPHITE TO 1.52 A RESOLUTION PSEUDOMONAS STUTZERI ABC-TRANSPORTER PERIPLAMIC BINDING PROTEIN PHOSPHITE HYPOPHOSPHITE TRANSPORT PROTEIN
Ref.: THE MOLECULAR BASIS OF PHOSPHITE AND HYPOPHOSPHITE RECOGNITION BY ABC-TRANSPORTERS. NAT COMMUN V. 8 1746 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5ME4 - HP4 H2 O2 P [O-][PH2]=....
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 5ME4 - HP4 H2 O2 P [O-][PH2]=....
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 5ME4 - HP4 H2 O2 P [O-][PH2]=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HP4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HP4 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ME4; Ligand: HP4; 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: 5me4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ME4; Ligand: HP4; 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: 5me4.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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