› 7o4u

X-ray diffraction
2.7Å resolution

Structure of the alpha subunit of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide

Released:
DOI: 10.2210/pdb7o4u/pdb
PDB entry 7o4u coloured by chain, front view.
PDB entry 7o4u coloured by chain, side view.
PDB entry 7o4u coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis β-oxidation trifunctional enzyme.
Dalwani S, Lampela O, Leprovost P, Schmitz W, Juffer AH, Wierenga RK, Venkatesan R
J Struct Biol 213 107776 (2021)
PMID: 34371166

Function and Biology Details

Reaction catalysed: 
(S)-3-hydroxyacyl-CoA + NAD(+) = 3-oxoacyl-CoA + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129475 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable fatty oxidation protein FadB Chains: A, B
Molecule details ›
Chains: A, B
Length: 736 amino acids
Theoretical weight: 78.01 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O53872 (Residues: 1-720; Coverage: 100%)
Gene names: Rv0860, fadB
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P1
Unit cell:
a: 49.812Å b: 86.913Å c: 88.957Å
α: 88.021° β: 89.915° γ: 75.192°
R-values:
R R work R free
0.216 0.213 0.27
Expression system: Escherichia coli BL21(DE3)

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