› 3g70

X-ray diffraction
2Å resolution

Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors

Released:
DOI: 10.2210/pdb3g70/pdb
PDB entry 3g70 coloured by chain, front view.
PDB entry 3g70 coloured by chain, side view.
PDB entry 3g70 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors.
Bezençon O, Bur D, Weller T, Richard-Bildstein S, Remen L, Sifferlen T, Corminboeuf O, Grisostomi C, Boss C, Prade L, Delahaye S, Treiber A, Strickner P, Binkert C, Hess P, Steiner B, Fischli W
J Med Chem 52 3689-702 (2009)
PMID: 19358611

Function and Biology Details

Reaction catalysed: 
Cleavage of Leu-|- bond in angiotensinogen to generate angiotensin I.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-133565 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Renin Chains: A, B
Molecule details ›
Chains: A, B
Length: 341 amino acids
Theoretical weight: 37.41 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P00797 (Residues: 67-406; Coverage: 89%)
Gene name: REN
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

3 bound ligands:
Ligand A5T 2 x A5T
Ligand DMS 2 x DMS
Ligand NAG 2 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 65.73Å b: 89.46Å c: 118.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.196 0.263
Expression system: Homo sapiens

Quick links

Citations

5 review citations

New and unusual scaffolds in medicinal chemistry.
Marson CM. (2011)
4 more