3cd5

X-ray diffraction
2.39Å resolution

Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxy-3-methylglutaryl-coenzyme A reductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 441 amino acids
Theoretical weight: 47.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04035 (Residues: 441-875; Coverage: 49%)
Gene name: HMGCR
Sequence domains: Hydroxymethylglutaryl-coenzyme A reductase
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P21
Unit cell:
a: 73.041Å b: 173.178Å c: 75.962Å
α: 90° β: 118.76° γ: 90°
R-values:
R R work R free
0.201 0.198 0.273
Expression system: Escherichia coli