› 2iku

X-ray diffraction
2.6Å resolution

Crystal Structure of Human Renin Complexed with Inhibitors

Released:
DOI: 10.2210/pdb2iku/pdb
PDB entry 2iku coloured by chain, front view.
PDB entry 2iku coloured by chain, side view.
PDB entry 2iku coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Sarver RW, Peevers J, Cody WL, Ciske FL, Dyer J, Emerson SD, Hagadorn JC, Holsworth DD, Jalaie M, Kaufman M, Mastronardi M, McConnell P, Powell NA, Quin J, Van Huis CA, Zhang E, Mochalkin I
Anal Biochem 360 30-40 (2007)
PMID: 17113558

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

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133570 (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: Cricetulus griseus
UniProt:
  • Canonical: P00797 (Residues: 67-406; Coverage: 89%)
Gene name: REN
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
Ligand LIY 2 x LIY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P213
Unit cell:
a: 141.162Å b: 141.162Å c: 141.162Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.212 0.256
Expression system: Cricetulus griseus

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Citations

7 review citations

Paul Ehrlich's magic bullet concept: 100 years of progress.
Strebhardt et al. (2008)
6 more

1 mention without citation

Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactions.
Singh et al. (2010)