PDBe 2px6

X-ray diffraction
2.3Å resolution

Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat

Source organism: Homo sapiens

Function and Biology Details

Reactions catalysed:
A (3R)-3-hydroxyacyl-[acyl-carrier protein] = a trans-2-enoyl-[acyl- carrier protein] + H(2)O. 
Acyl-[acyl-carrier-protein] + malonyl-[acyl-carrier-protein] = 3-oxoacyl- [acyl-carrier-protein] + CO(2) + [acyl-carrier-protein]. 
Acetyl-CoA + [acyl-carrier-protein] = CoA + acetyl-[acyl-carrier- protein]. 
Malonyl-CoA + an [acyl-carrier-protein] = CoA + a malonyl-[acyl-carrier- protein]. 
Acetyl-CoA + n malonyl-CoA + 2n NADPH = a long-chain fatty acid + (n+1) CoA + n CO(2) + 2n NADP(+). 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl- carrier-protein] + NADPH. 
Oleoyl-[acyl-carrier-protein] + H(2)O = [acyl-carrier-protein] + oleate. 
An acyl-[acyl-carrier protein] + NADP(+) = a trans-2,3-dehydroacyl-[acyl- carrier protein] + NADPH. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Fatty acid synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 316 amino acids
Theoretical weight: 34.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
  • Canonical: P49327 (Residues: 2200-2511; Coverage: 12%)
Gene names: FAS, FASN
Sequence domains: Thioesterase domain
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: P21
Unit cell:
a: 41.86Å b: 94.32Å c: 69.72Å
α: 90° β: 95.82° γ: 90°
R R work R free
0.228 0.225 0.273
Expression system: Escherichia coli