Receptor
PDB id Resolution Class Description Source Keywords
2R5V 2.3 Å EC: 1.13.11.46 HYDROXYMANDELATE SYNTHASE CRYSTAL STRUCTURE AMYCOLATOPSIS ORIENTALIS DIOXYGENASE NON-HEME IRON VANCOMYCIN OXIDOREDUCTASE
Ref.: TWO ROADS DIVERGED: THE STRUCTURE OF HYDROXYMANDELA SYNTHASE FROM AMYCOLATOPSIS ORIENTALIS IN COMPLEX W 4-HYDROXYMANDELATE. BIOCHEMISTRY V. 47 2002 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:4113;
B:4114;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.933 Co [Co+2...
HHH A:4114;
B:4116;
Valid;
Valid;
none;
none;
submit data
168.147 C8 H8 O4 c1cc(...
PO4 B:4115;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R5V 2.3 Å EC: 1.13.11.46 HYDROXYMANDELATE SYNTHASE CRYSTAL STRUCTURE AMYCOLATOPSIS ORIENTALIS DIOXYGENASE NON-HEME IRON VANCOMYCIN OXIDOREDUCTASE
Ref.: TWO ROADS DIVERGED: THE STRUCTURE OF HYDROXYMANDELA SYNTHASE FROM AMYCOLATOPSIS ORIENTALIS IN COMPLEX W 4-HYDROXYMANDELATE. BIOCHEMISTRY V. 47 2002 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R5V - HHH C8 H8 O4 c1cc(ccc1[....
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 2R5V - HHH C8 H8 O4 c1cc(ccc1[....
50% 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 2R5V - HHH C8 H8 O4 c1cc(ccc1[....
2 3ZGJ - RMN C8 H8 O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HHH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HHH 1 1
2 RMN 0.5 0.789474
3 SMN 0.5 0.789474
4 AC6 0.411765 0.65
5 34H 0.4 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R5V; Ligand: HHH; 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: 2r5v.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2R5V; Ligand: HHH; 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: 2r5v.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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