› 2g1n

X-ray diffraction
2.9Å resolution

Ketopiperazine-based renin inhibitors: Optimization of the "C" ring

Released:
DOI: 10.2210/pdb2g1n/pdb
PDB entry 2g1n coloured by chain, front view.
PDB entry 2g1n coloured by chain, side view.
PDB entry 2g1n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ketopiperazine-based renin inhibitors: optimization of the "C" ring.
Holsworth DD, Cai C, Cheng XM, Cody WL, Downing DM, Erasga N, Lee C, Powell NA, Edmunds JJ, Stier M, Jalaie M, Zhang E, McConnell P, Ryan MJ, Bryant J, Li T, Kasani A, Hall E, Subedi R, Rahim M, Maiti S
Bioorg Med Chem Lett 16 2500-4 (2006)
PMID: 16480874

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: 333 amino acids
Theoretical weight: 36.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00797 (Residues: 74-406; Coverage: 87%)
Gene name: REN
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand NAG 2 x NAG
Ligand 1IG 2 x 1IG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P213
Unit cell:
a: 142.027Å b: 142.027Å c: 142.027Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.212 0.285
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Recent syntheses of 1,2,3,4-tetrahydroquinolines, 2,3-dihydro-4(1H)-quinolinones and 4(1H)-quinolinones using domino reactions.
Nammalwar et al. (2013)
13 other articles

1 mention without citation

Identified the Synergistic Mechanism of Drynariae Rhizoma for Treating Fracture Based on Network Pharmacology.
Lin et al. (2019)