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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 1q23.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4H6B 10Y 0.003554 0.43553 2.05128
2 4H6B 10X 0.00385 0.42925 2.05128
3 1P72 THM 0.01199 0.41868 2.73973
4 4XMF HSM 0.003815 0.42831 3.26087
5 2ZBA ZBA 0.008753 0.41234 3.65297
6 5W0N UPU 0.02585 0.4015 3.65297
7 1I06 TZL 0.01784 0.40981 3.88889
8 2XMY CDK 0.03094 0.40769 4.10959
9 4EE7 PIS 0.005666 0.42607 4.56621
10 5KOD IAC 0.008262 0.41607 5.02283
11 2RKV ZBA 0.00585 0.42312 5.47945
12 2RKV COA 0.005456 0.42105 5.47945
13 5KEW 6SB 0.01813 0.40513 7.63889
14 1KTG AMP 0.01925 0.40634 8.69565
15 1I7M PUT 0.006356 0.44296 8.95522
16 5TVM PUT 0.02898 0.40072 11.7647
17 1VBJ CIT 0.009159 0.43998 12.3288
Pocket No.: 3; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 9
This union binding pocket(no: 6) in the query (biounit: 1q23.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5V3D FCN 0.02376 0.40391 1.37931
2 2YKL NLD 0.007641 0.41514 3.7037
3 3T7V MD0 0.01488 0.41386 4.10959
4 4ORM ORO 0.03876 0.40349 5.02283
5 4ORM FMN 0.03876 0.40349 5.02283
6 4ORM 2V6 0.03876 0.40349 5.02283
7 3SI2 PBD 0.01372 0.40306 5.47945
8 2VOT NHV 0.008505 0.40899 11.4155
9 2BP1 FLC 0.01496 0.42243 15.9817
Pocket No.: 7; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 7
This union binding pocket(no: 7) in the query (biounit: 1q23.bio4) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X8D RNS 0.01599 0.40963 None
2 5JSP DQY 0.02063 0.40521 2.48756
3 3PUA OGA 0.01507 0.41387 4.56621
4 5HUA FK5 0.02039 0.40083 5.21739
5 4DYG MES 0.01347 0.41389 6.39269
6 4K90 MLA 0.02412 0.40899 7.90698
7 2C91 TLA 0.0191 0.4098 15.9817
Pocket No.: 8; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 5
This union binding pocket(no: 11) in the query (biounit: 1q23.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXS BEZ 0.01341 0.41742 2.53165
2 3B00 16A 0.01743 0.40016 4.56621
3 1DZT ATY 0.01602 0.41112 5.46448
4 5H06 MAL 0.01843 0.40845 6.84932
5 1U18 HSM 0.002242 0.4206 8.64865
Pocket No.: 12; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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