4cql

X-ray diffraction
2.85Å resolution

Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD

Released:
Source organism: Homo sapiens
Entry authors: Venkatesan R, Sah-Teli SK, Awoniyi LO, Jiang G, Prus P, Kastaniotis AJ, Hiltunen JK, Wierenga RK, Chen Z

Function and Biology Details

Reactions catalysed:
Testosterone + NAD(+) = androstenedione + NADH
(R)-3-hydroxyacyl-CoA + NAD(+) = 3-oxoacyl-CoA + NADH
17-beta-estradiol + NAD(P)(+) = estrone + NAD(P)H
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
NADPH + a quinone = NADP(+) + a quinol
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
(3R)-3-hydroxyacyl-CoA dehydrogenase Chains: A, D, E, H, I, L, M, P
Molecule details ›
Chains: A, D, E, H, I, L, M, P
Length: 261 amino acids
Theoretical weight: 27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q92506 (Residues: 1-261; Coverage: 100%)
Gene names: FABGL, HKE6, HSD17B8, RING2, SDR30C1
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain
3-oxoacyl-[acyl-carrier-protein] reductase Chains: B, C, F, G, J, K, N, O
Molecule details ›
Chains: B, C, F, G, J, K, N, O
Length: 244 amino acids
Theoretical weight: 26.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8N4T8 (Residues: 1-237; Coverage: 100%)
Gene names: CBR4, SDR45C1
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 8 x NAD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 87.15Å b: 237.11Å c: 87.35Å
α: 90° β: 94.52° γ: 90°
R-values:
R R work R free
0.185 0.183 0.236
Expression system: Escherichia coli BL21