Receptor
PDB id Resolution Class Description Source Keywords
5U55 2.45 Å EC: 1.11.1.23 PSF4 IN COMPLEX WITH MN2+ AND (S)-2-HPP PSEUDOMONAS SYRINGAE FOSFOMYCIN EPOXIDASE OXIDASE OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF TWO LATE-STAGE ENZYMES INVOLVED FOSFOMYCIN BIOSYNTHESIS IN PSEUDOMONADS. ACS CHEM. BIOL. V. 12 456 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
S0H D:302;
C:302;
A:302;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
140.075 C3 H9 O4 P C[C@@...
MN B:301;
C:301;
D:301;
A:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U55 2.45 Å EC: 1.11.1.23 PSF4 IN COMPLEX WITH MN2+ AND (S)-2-HPP PSEUDOMONAS SYRINGAE FOSFOMYCIN EPOXIDASE OXIDASE OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF TWO LATE-STAGE ENZYMES INVOLVED FOSFOMYCIN BIOSYNTHESIS IN PSEUDOMONADS. ACS CHEM. BIOL. V. 12 456 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U55 - S0H C3 H9 O4 P C[C@@H](CP....
2 5U5D - TB6 C3 H9 O4 P C[C@H](CP(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U55 - S0H C3 H9 O4 P C[C@@H](CP....
2 5U5D - TB6 C3 H9 O4 P C[C@H](CP(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U55 - S0H C3 H9 O4 P C[C@@H](CP....
2 5U5D - TB6 C3 H9 O4 P C[C@H](CP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S0H; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 TB6 1 1
2 S0H 1 1
3 GG6 0.409091 0.758621
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5u55.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5u55.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GC0 PAN 0.007374 0.40794 1.59574
2 5JSP DQY 0.0228 0.40947 2.63158
3 4GJY OGA 0.01572 0.41904 5.26316
4 4YRD 3IT 0.01742 0.40005 13.6842
5 5TFZ 7BC 0.002911 0.44845 16
Pocket No.: 3; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5u55.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5u55.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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