› 6z5o

X-ray diffraction
1.7Å resolution

CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE

Released:
DOI: 10.2210/pdb6z5o/pdb
PDB entry 6z5o coloured by chain, front view.
PDB entry 6z5o coloured by chain, side view.
PDB entry 6z5o coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites.
Sridhar S, Schmitz W, Hiltunen JK, Venkatesan R, Bergmann U, Kiema TR, Wierenga RK
Acta Crystallogr D Struct Biol 76 1256-1269 (2020)
PMID: 33263331

Function and Biology Details

Reactions catalysed: 
(S)-3-hydroxyacyl-CoA + NAD(+) = 3-oxoacyl-CoA + NADH
(3S)-3-hydroxyacyl-CoA = trans-2(or 3)-enoyl-CoA + H(2)O
A (3E)-alk-3-enoyl-CoA = a (2E)-alk-2-enoyl-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139814 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisomal bifunctional enzyme Chain: AAA
Molecule details ›
Chain: AAA
Length: 742 amino acids
Theoretical weight: 80.93 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07896 (Residues: 1-722; Coverage: 100%)
Gene names: Ehhadh, Mfe1
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
4 bound ligands:
Ligand SO4 5 x SO4
Ligand GOL 1 x GOL
Ligand COA 1 x COA
Ligand NCA 1 x NCA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 62.646Å b: 106.664Å c: 114.512Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.233
Expression system: Escherichia coli BL21(DE3)

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