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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:222;
A:223;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.933 Co [Co+2...
FUA A:221;
Valid;
none;
Ki = 5.4 uM
516.709 C31 H48 O6 C[C@H...
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
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 : 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: 29
This union binding pocket(no: 2) in the query (biounit: 1qca.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2P7Q GG6 None
2 1Y7P RIP None
3 5DG2 GAL GLC None
4 3WUD GLC GAL None
5 3OYW TDG 2.23881
6 1S5O 152 2.34742
7 5W75 SUC 2.8169
8 1A78 TDG 2.98507
9 1SDW IYT 3.28639
10 2VFT SOR 3.75587
11 5V3D FCN 4.13793
12 4RF7 ARG 4.69484
13 5KJW 53C 5.6338
14 3QRC SCR 6.36943
15 4P25 FUC GAL NAG FUC 6.57277
16 3O2K DST 6.57277
17 1NKI PPF 6.66667
18 5GLT BGC GAL NAG GAL 7.51174
19 5L2R MLA 7.51174
20 1U6R ADP 7.51174
21 2D6M LBT 7.54717
22 6GNO XDI 8.88889
23 5HA0 LTD 8.97436
24 1O9U ADZ 10.7981
25 1ULE GLA GAL NAG 12.6667
26 4WOE ADP 13.615
27 4M1U A2G MBG 17.8404
28 3VV1 GAL FUC 20
29 4K55 H6P 20.1613
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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