Receptor
PDB id Resolution Class Description Source Keywords
2RHQ 2.2 Å EC: 6.1.1.20 PHERS FROM STAPHYLOCOCCUS HAEMOLYTICUS- RATIONAL PROTEIN ENG AND INHIBITOR STUDIES STAPHYLOCOCCUS HAEMOLYTICUS HETEROTETRAMER PHENYLALANINE TRNA AMINOACYL-TRNA SYNTHETABINDING CYTOPLASM LIGASE MAGNESIUM METAL-BINDING NUCLEBINDING PROTEIN BIOSYNTHESIS RNA-BINDING TRNA-BINDING
Ref.: RATIONAL PROTEIN ENGINEERING IN ACTION: THE FIRST C STRUCTURE OF A PHENYLALANINE TRNA SYNTHETASE FROM STAPHYLOCOCCUS HAEMOLYTICUS. J.STRUCT.BIOL. V. 162 152 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAX A:352;
Valid;
none;
submit data
444.531 C19 H20 N6 O3 S2 c1ccn...
ZN A:1;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RHQ 2.2 Å EC: 6.1.1.20 PHERS FROM STAPHYLOCOCCUS HAEMOLYTICUS- RATIONAL PROTEIN ENG AND INHIBITOR STUDIES STAPHYLOCOCCUS HAEMOLYTICUS HETEROTETRAMER PHENYLALANINE TRNA AMINOACYL-TRNA SYNTHETABINDING CYTOPLASM LIGASE MAGNESIUM METAL-BINDING NUCLEBINDING PROTEIN BIOSYNTHESIS RNA-BINDING TRNA-BINDING
Ref.: RATIONAL PROTEIN ENGINEERING IN ACTION: THE FIRST C STRUCTURE OF A PHENYLALANINE TRNA SYNTHETASE FROM STAPHYLOCOCCUS HAEMOLYTICUS. J.STRUCT.BIOL. V. 162 152 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2RHQ - GAX C19 H20 N6 O3 S2 c1ccnc(c1)....
2 2RHS - GAX C19 H20 N6 O3 S2 c1ccnc(c1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2RHQ - GAX C19 H20 N6 O3 S2 c1ccnc(c1)....
2 2RHS - GAX C19 H20 N6 O3 S2 c1ccnc(c1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2RHQ - GAX C19 H20 N6 O3 S2 c1ccnc(c1)....
2 2RHS - GAX C19 H20 N6 O3 S2 c1ccnc(c1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GAX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GAX; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RHQ; Ligand: GAX; 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: 2rhq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2RHQ; Ligand: GAX; 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: 2rhq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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