› 5v8v

X-ray diffraction
2.6Å resolution

Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol

Released:
DOI: 10.2210/pdb5v8v/pdb
PDB entry 5v8v coloured by chain, front view.
PDB entry 5v8v coloured by chain, side view.
PDB entry 5v8v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Lawhorn BG, Tran T, Hong VS, Morgan LA, Le BT, Harpel MR, Jolivette L, Diaz E, Schwartz B, Gross JW, Tomaszek T, Semus S, Concha N, Smallwood A, Holt DA, Kallander LS
Bioorg Med Chem Lett 27 4838-4843 (2017)
PMID: 28985999

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:
monomeric (preferred)
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: 337 amino acids
Theoretical weight: 36.94 KDa
Source organism: Homo sapiens
Expression system: Baculoviridae
UniProt:
  • Canonical: P00797 (Residues: 70-406; Coverage: 88%)
Gene name: REN
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand NAG 2 x NAG
Ligand 90D 4 x 90D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 54.367Å b: 99.014Å c: 147.031Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.186 0.253
Expression system: Baculoviridae

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