Receptor
PDB id Resolution Class Description Source Keywords
1Q23 2.18 Å EC: 2.3.1.28 CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION ESCHERICHIA COLI CAT I TRIMER FUSIDIC ACID TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I IN THE APOENZYME FORM AND COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:801;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FUA A:702;
B:703;
C:701;
D:705;
E:706;
F:704;
G:708;
H:709;
I:707;
J:711;
K:712;
L:710;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
516.709 C31 H48 O6 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q23 2.18 Å EC: 2.3.1.28 CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION ESCHERICHIA COLI CAT I TRIMER FUSIDIC ACID TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I IN THE APOENZYME FORM AND COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Q23 - FUA C31 H48 O6 C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Q23 - FUA C31 H48 O6 C[C@H]1[C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QCA Ki = 5.4 uM FUA C31 H48 O6 C[C@H]1[C@....
2 4CLA - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
3 3CLA Kd = 13 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
4 1CLA - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
5 1Q23 - FUA C31 H48 O6 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FUA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q23; Ligand: FUA; 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: 1q23.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Q23; Ligand: FUA; 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: 1q23.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1q23.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1q23.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1q23.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1q23.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1q23.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1q23.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1q23.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1q23.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1q23.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1q23.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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