› 3own

X-ray diffraction
2Å resolution

Potent macrocyclic renin inhibitors

Released:
DOI: 10.2210/pdb3own/pdb
PDB entry 3own coloured by chain, front view.
PDB entry 3own coloured by chain, side view.
PDB entry 3own coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of potent macrocyclic renin inhibitors.
Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B
Bioorg Med Chem Lett 21 358-62 (2011)
PMID: 21112780

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
homo trimer
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: 341 amino acids
Theoretical weight: 37.41 KDa
Source organism: 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

4 bound ligands:
Ligand ACT 3 x ACT
Ligand NA 2 x NA
Ligand 3OX 1 x 3OX
Ligand 3OW 1 x 3OW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P213
Unit cell:
a: 141.827Å b: 141.827Å c: 141.827Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.217 0.254

Quick links

Citations

1 review citation

Constraining cyclic peptides to mimic protein structure motifs.
Hill et al. (2014)
6 other articles

1 mention without citation

Study on the Multitarget Mechanism and Active Compounds of Essential Oil from Artemisia argyi Treating Pressure Injuries Based on Network Pharmacology.
Lu et al. (2022)