› 3sfc

X-ray diffraction
2.1Å resolution

Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors

Released:
DOI: 10.2210/pdb3sfc/pdb
PDB entry 3sfc coloured by chain, front view.
PDB entry 3sfc coloured by chain, side view.
PDB entry 3sfc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.
Scheiper B, Matter H, Steinhagen H, Böcskei Z, Fleury V, McCort G
Bioorg Med Chem Lett 21 5480-6 (2011)
PMID: 21840218

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 hexamer
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: 340 amino acids
Theoretical weight: 37.27 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 NAG 2 x NAG
Ligand GOL 4 x GOL
Ligand S53 3 x S53
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P213
Unit cell:
a: 138.794Å b: 138.794Å c: 138.794Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.211 0.243
Expression system: Homo sapiens

Quick links

Citations

2 review citations

Recent progress on the discovery of non-peptidic direct renin inhibitors for the clinical management of hypertension.
Yokokawa F. (2013)
1 more

2 mentions without citation

Alternatively Spliced Homologous Exons Have Ancient Origins and Are Highly Expressed at the Protein Level.
Abascal et al. (2015)
1 more