› 2jfk

X-ray diffraction
2.4Å resolution

Structure of the MAT domain of human FAS with malonyl-CoA

Released:
DOI: 10.2210/pdb2jfk/pdb
PDB entry 2jfk coloured by chain, front view.
PDB entry 2jfk coloured by chain, side view.
PDB entry 2jfk coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Bunkoczi G, Kavanagh K, Hozjan V, Rojkova A, Watt S, Wu X, Arrowsmith CH, Edwards A, Sundstrom M, Weigelt J, Smith S, Oppermann U

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155922 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 433 amino acids
Theoretical weight: 47.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49327 (Residues: 422-831; Coverage: 16%)
Gene names: FAS, FASN
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand COA 4 x COA
No bound ligands
1 modified residue:
Ligand MCS 4 x MCS

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 82.917Å b: 91.41Å c: 261.609Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.222 0.271
Expression system: Escherichia coli BL21(DE3)

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