Receptor
PDB id Resolution Class Description Source Keywords
1JZS 2.5 Å EC: 6.1.1.5 ISOLEUCYL-TRNA SYNTHETASE COMPLEXED WITH MUPIROCIN THERMUS THERMOPHILUS AMINOACYL-TRNA SYNTHETASE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LIGASE
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF ISOLEUCYL-ADENYLATE AND AN ANTIBIOTIC, MUPIROCIN, BY ISOLEUCYL-TRNA SYNTHETASE. J.BIOL.CHEM. V. 276 47387 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRC A:1301;
Valid;
none;
Ki = 0.25 uM
500.622 C26 H44 O9 CC([C...
ZN A:1101;
A:1102;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JZS 2.5 Å EC: 6.1.1.5 ISOLEUCYL-TRNA SYNTHETASE COMPLEXED WITH MUPIROCIN THERMUS THERMOPHILUS AMINOACYL-TRNA SYNTHETASE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LIGASE
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF ISOLEUCYL-ADENYLATE AND AN ANTIBIOTIC, MUPIROCIN, BY ISOLEUCYL-TRNA SYNTHETASE. J.BIOL.CHEM. V. 276 47387 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JZS Ki = 0.25 uM MRC C26 H44 O9 CC([C@H]1[....
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 1JZS Ki = 0.25 uM MRC C26 H44 O9 CC([C@H]1[....
50% 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 1JZS Ki = 0.25 uM MRC C26 H44 O9 CC([C@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MRC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MRC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JZS; Ligand: MRC; 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: 1jzs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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