Receptor
PDB id Resolution Class Description Source Keywords
4JH9 1.77 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF FOSB FROM BACILLUS CEREUS WITH MAGANESE POTENTIAL BSH-FOSFOMYCIN PRODUCT BACILLUS CEREUS BACILLITHIOL-S-TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITO
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
MN B:201;
A:201;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
1KM A:202;
B:202;
 Valid;
Valid;
 none;
none;
 submit data
259.217 C6 H14 N O6 P S C[C@@...
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 9 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 8 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 (2D)
Ligand no: 1; Ligand: 1KM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1KM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1KM; Similar ligands found: 12
No: Ligand Similarity coefficient
1 7UZ 0.9048
2 CBQ 0.9007
3 ING 0.8960
4 1BY 0.8871
5 L69 0.8812
6 0M9 0.8681
7 23N 0.8673
8 NI9 0.8670
9 3YQ 0.8597
10 AVJ 0.8573
11 ZOL 0.8567
12 RIS 0.8525
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: 2
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
2 1NKI PPF 48.8889
Pocket No.: 2; Query (leader) PDB : 4JH6; Ligand: FCN; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1NKI PPF 48.8889
2 1NKI PPF 48.8889
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