Receptor
PDB id Resolution Class Description Source Keywords
1CLA 2.34 Å EC: 2.3.1.28 EVIDENCE FOR TRANSITION-STATE STABILIZATION BY SERINE-148 IN CATALYTIC MECHANISM OF CHLORAMPHENICOL ACETYLTRANSFERASE ESCHERICHIA COLI TRANSFERASE (ACYLTRANSFERASE)
Ref.: EVIDENCE FOR TRANSITION-STATE STABILIZATION BY SERI THE CATALYTIC MECHANISM OF CHLORAMPHENICOL ACETYLTRANSFERASE. BIOCHEMISTRY V. 29 2075 1990
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLM A:221;
 Valid;
 none;
 submit data
323.129 C11 H12 Cl2 N2 O5 c1cc(...
CO A:222;
A:223;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
58.933 Co [Co+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QCA 2.2 Å EC: 2.3.1.28 QUADRUPLE MUTANT Q92C, N146F, Y168F, I172V TYPE III CAT COMP FUSIDIC ACID. CRYSTALS GROWN AT PH 6.3. X-RAY DATA COLLECTET EMPERATURE SHIGELLA FLEXNERI CHLORAMPHENICOL FUSIDATE STEROID TRANSFERASE (ACYLTRANSFE
Ref.: STEROID RECOGNITION BY CHLORAMPHENICOL ACETYLTRANSF ENGINEERING AND STRUCTURAL ANALYSIS OF A HIGH AFFIN FUSIDIC ACID BINDING SITE. J.MOL.BIOL. V. 254 993 1995
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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[....
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 (2D)
Ligand no: 1; Ligand: CLM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CLM 1 1
2 BRX 0.769231 0.962264
3 CL8 0.58209 0.862069
Similar Ligands (3D)
Ligand no: 1; Ligand: CLM; Similar ligands found: 15
No: Ligand Similarity coefficient
1 TH8 0.9585
2 NHK 0.8955
3 HRS 0.8926
4 GLY TYR 0.8823
5 C2R 0.8784
6 L8N 0.8728
7 NGH 0.8722
8 AMZ 0.8718
9 DA 0.8655
10 0QX 0.8631
11 A06 0.8627
12 Z79 0.8620
13 IMP 0.8600
14 UMP 0.8535
15 N1Y 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QCA; 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: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QCA; 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: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QCA; 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: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QCA; 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: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QCA; 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: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QCA; 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: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1QCA; 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: 1qca.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1QCA; 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: 1qca.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1QCA; 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: 1qca.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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