› 6c6n

X-ray diffraction
2.3Å resolution

Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"

Released:
DOI: 10.2210/pdb6c6n/pdb
PDB entry 6c6n coloured by chain, front view.
PDB entry 6c6n coloured by chain, side view.
PDB entry 6c6n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Padyana AK, Gross S, Jin L, Cianchetta G, Narayanaswamy R, Wang F, Wang R, Fang C, Lv X, Biller SA, Dang L, Mahoney CE, Nagaraja N, Pirman D, Sui Z, Popovici-Muller J, Smolen GA
Nat Commun 10 97 (2019)
PMID: 30626872

Function and Biology Details

Reaction catalysed: 
Squalene + [reduced NADPH--hemoprotein reductase] + O(2) = (3S)-2,3-epoxy-2,3-dihydrosqualene + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172025 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Squalene monooxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 458 amino acids
Theoretical weight: 50.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14534 (Residues: 118-574; Coverage: 80%)
Gene names: ERG1, SQLE
Sequence domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
4 bound ligands:
Ligand GOL 4 x GOL
Ligand SO4 2 x SO4
Ligand CPS 7 x CPS
Ligand EKV 2 x EKV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P3221
Unit cell:
a: 126.96Å b: 126.96Å c: 166.12Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.189 0.22
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Lipid metabolism and cancer.
Bian et al. (2021)
6 more

10 mentions without citation

Strategies to Better Target Fungal Squalene Monooxygenase.
Sagatova AA. (2021)
9 more