Receptor
PDB id Resolution Class Description Source Keywords
3TWD 1.9 Å EC: 2.3.1.157_2.7.7.23 GLMUC1 IN COMPLEX WITH AN ANTIBACTERIAL INHIBITOR ESCHERICHIA COLI ACETYL TRANSFERASE URIDYL TRANSFERASE TRANSFERASE-TRANSFERINHIBITOR COMPLEX
Ref.: IN VITRO VALIDATION OF ACETYLTRANSFERASE ACTIVITY O AN ANTIBACTERIAL TARGET IN HAEMOPHILUS INFLUENZAE. J.BIOL.CHEM. V. 286 40734 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOB A:1;
B:454;
Valid;
Valid;
none;
none;
ic50 = 0.018 uM
499.536 C24 H25 N3 O7 S COc1c...
SO4 A:2;
B:1;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TWD 1.9 Å EC: 2.3.1.157_2.7.7.23 GLMUC1 IN COMPLEX WITH AN ANTIBACTERIAL INHIBITOR ESCHERICHIA COLI ACETYL TRANSFERASE URIDYL TRANSFERASE TRANSFERASE-TRANSFERINHIBITOR COMPLEX
Ref.: IN VITRO VALIDATION OF ACETYLTRANSFERASE ACTIVITY O AN ANTIBACTERIAL TARGET IN HAEMOPHILUS INFLUENZAE. J.BIOL.CHEM. V. 286 40734 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4AA7 ic50 = 2 uM R82 C19 H22 N2 O5 S C[C@@H]1Cc....
2 3TWD ic50 = 0.018 uM GOB C24 H25 N3 O7 S COc1cc(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4AA7 ic50 = 2 uM R82 C19 H22 N2 O5 S C[C@@H]1Cc....
2 3TWD ic50 = 0.018 uM GOB C24 H25 N3 O7 S COc1cc(c(c....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4AA7 ic50 = 2 uM R82 C19 H22 N2 O5 S C[C@@H]1Cc....
2 3TWD ic50 = 0.018 uM GOB C24 H25 N3 O7 S COc1cc(c(c....
3 1FWY - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
4 2V0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 4E1K ic50 = 0.26 uM 0N5 C22 H18 N4 O3 COc1cc2c(c....
6 4KNX ic50 = 3.2 uM 1S9 C24 H20 N4 O5 COc1cc2c(c....
7 4KPZ - 1SF C10 H9 N3 O4 c1cc(cc(c1....
8 2V0L - URI C9 H12 N2 O6 C1=CN(C(=O....
9 2V0J - H2U C9 H15 N2 O9 P C1CN(C(=O)....
10 4KPX ic50 = 0.05 uM 1SE C19 H14 N4 O5 c1ccnc(c1)....
11 4KNR ic50 = 1.8 uM 1S8 C29 H24 N4 O3 COc1cc2c(c....
12 2VD4 ic50 = 18 uM P21 C24 H31 Cl N2 O2 COCCCN([C@....
13 4KQL ic50 = 0.0017 uM 1SG C24 H19 N5 O5 COc1cc(cc(....
14 1HV9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
15 2OI6 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
16 2OI5 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
17 1HM9 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
18 1HM8 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
19 4AAW ic50 = 0.5 uM R84 C29 H37 N3 O11 S COc1cc(c(c....
20 1G97 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
21 4AC3 ic50 = 110 uM R83 C22 H29 N3 O5 S CC(=O)Nc1c....
22 3DJ4 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
23 4G87 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GOB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GOB 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TWD; Ligand: GOB; 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: 3twd.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TWD; Ligand: GOB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3twd.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TWD; Ligand: GOB; 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: 3twd.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3TWD; Ligand: GOB; 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: 3twd.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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