Receptor
PDB id Resolution Class Description Source Keywords
4JH6 1.32 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF FOSB FROM BACILLUS CEREUS WITH MANGANES FOSFOMYCIN BACILLUS CEREUS BACILLITHIOL-S-TRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND CHEMICAL ASPECTS OF RESISTANCE TO TH ANTIBIOTIC FOSFOMYCIN CONFERRED BY FOSB FROM BACILL CEREUS. BIOCHEMISTRY V. 52 7350 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:203;
A:205;
B:203;
B:205;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL B:204;
A:204;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
FCN B:202;
A:202;
Valid;
Valid;
none;
none;
submit data
138.059 C3 H7 O4 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JH6 1.32 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF FOSB FROM BACILLUS CEREUS WITH MANGANES FOSFOMYCIN BACILLUS CEREUS BACILLITHIOL-S-TRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND CHEMICAL ASPECTS OF RESISTANCE TO TH ANTIBIOTIC FOSFOMYCIN CONFERRED BY FOSB FROM BACILL CEREUS. BIOCHEMISTRY V. 52 7350 2013
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4JH4 - FCN C3 H7 O4 P C[C@H]1[C@....
2 4JH7 - 1KM C6 H14 N O6 P S C[C@@H]([C....
3 4JH3 - FCN C3 H7 O4 P C[C@H]1[C@....
4 4JH6 - FCN C3 H7 O4 P C[C@H]1[C@....
5 4JH9 - 1KM C6 H14 N O6 P S C[C@@H]([C....
6 4JH5 - FCN C3 H7 O4 P C[C@H]1[C@....
7 4JH8 - FCN C3 H7 O4 P C[C@H]1[C@....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4JH4 - FCN C3 H7 O4 P C[C@H]1[C@....
2 4JH7 - 1KM C6 H14 N O6 P S C[C@@H]([C....
3 4JH3 - FCN C3 H7 O4 P C[C@H]1[C@....
4 4JH6 - FCN C3 H7 O4 P C[C@H]1[C@....
5 4JH9 - 1KM C6 H14 N O6 P S C[C@@H]([C....
6 4JH5 - FCN C3 H7 O4 P C[C@H]1[C@....
7 4JH8 - FCN C3 H7 O4 P C[C@H]1[C@....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4JH4 - FCN C3 H7 O4 P C[C@H]1[C@....
2 4JH7 - 1KM C6 H14 N O6 P S C[C@@H]([C....
3 4JH3 - FCN C3 H7 O4 P C[C@H]1[C@....
4 4JH6 - FCN C3 H7 O4 P C[C@H]1[C@....
5 4JH9 - 1KM C6 H14 N O6 P S C[C@@H]([C....
6 4JH5 - FCN C3 H7 O4 P C[C@H]1[C@....
7 4JH8 - FCN C3 H7 O4 P C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FCN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FCN 1 1
2 FM4 0.481481 0.903226
3 FV1 0.433333 0.848485
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JH6; Ligand: FCN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1NKI PPF 48.8889
Pocket No.: 2; Query (leader) PDB : 4JH6; Ligand: FCN; 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: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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