Receptor
PDB id Resolution Class Description Source Keywords
1NKI 0.95 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN A (FO CONTAINING BOUND PHOSPHONOFORMATE PSEUDOMONAS AERUGINOSA POTASSIUM BINDING LOOP MANGANESE BINDING TRANSFERASE
Ref.: PHOSPHONOFORMATE: A MINIMAL TRANSITION STATE ANALOG INHIBITOR OF THE FOSFOMYCIN RESISTANCE PROTEIN, FOS BIOCHEMISTRY V. 43 13666 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K A:3002;
B:3001;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
MN A:4004;
B:4003;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PPF A:5001;
B:5002;
Valid;
Valid;
none;
none;
Kd ~ 0.2 uM
126.005 C H3 O5 P C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NKI 0.95 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN A (FO CONTAINING BOUND PHOSPHONOFORMATE PSEUDOMONAS AERUGINOSA POTASSIUM BINDING LOOP MANGANESE BINDING TRANSFERASE
Ref.: PHOSPHONOFORMATE: A MINIMAL TRANSITION STATE ANALOG INHIBITOR OF THE FOSFOMYCIN RESISTANCE PROTEIN, FOS BIOCHEMISTRY V. 43 13666 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 1NKI Kd ~ 0.2 uM PPF C H3 O5 P C(=O)(O)P(....
2 1LQP - FCN C3 H7 O4 P C[C@H]1[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1NKI Kd ~ 0.2 uM PPF C H3 O5 P C(=O)(O)P(....
2 1LQP - FCN C3 H7 O4 P C[C@H]1[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1NKI Kd ~ 0.2 uM PPF C H3 O5 P C(=O)(O)P(....
2 1LQP - FCN C3 H7 O4 P C[C@H]1[C@....
3 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PPF 1 1
2 PAE 0.444444 0.724138
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NKI; Ligand: PPF; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1nki.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4JH6 FCN 48.8889
Pocket No.: 2; Query (leader) PDB : 1NKI; Ligand: PPF; 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: 1nki.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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