› 5kot

X-ray diffraction
2.1Å resolution

Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor

Released:
DOI: 10.2210/pdb5kot/pdb
PDB entry 5kot coloured by chain, front view.
PDB entry 5kot coloured by chain, side view.
PDB entry 5kot coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Snell GP, Behnke CA, Okada K, Hideyuki O, Sang B-C, Lane W

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

Ligands and Environments

5 bound ligands:
Ligand NAG 2 x NAG
Ligand 6VU 2 x 6VU
Ligand PGE 2 x PGE
Ligand PEG 4 x PEG
Ligand DMS 14 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P213
Unit cell:
a: 139.317Å b: 139.317Å c: 139.317Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.203
Expression system: Homo sapiens

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