› 5ovl

X-ray diffraction
2.4Å resolution

crystal structure of MabA bound to NADP+ from M. smegmatis

Released:
DOI: 10.2210/pdb5ovl/pdb
PDB entry 5ovl coloured by chain, front view.
PDB entry 5ovl coloured by chain, side view.
PDB entry 5ovl coloured by chain, top view.
Source organism: Mycolicibacterium smegmatis MC2 155
Primary publication:
Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis β-ketoacyl-acyl carrier protein reductase MabA.
Küssau T, Flipo M, Van Wyk N, Viljoen A, Olieric V, Kremer L, Blaise M
Acta Crystallogr D Struct Biol 74 383-393 (2018)
PMID: 29717709

Function and Biology Details

Reactions catalysed: 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
(R)-3-hydroxyacyl-CoA + NADP(+) = 3-oxoacyl-CoA + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159801 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-[acyl-carrier-protein] reductase MabA Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 300 amino acids
Theoretical weight: 31.73 KDa
Source organism: Mycolicibacterium smegmatis MC2 155
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P71534 (Residues: 1-255; Coverage: 100%)
Gene names: MSMEG_3150, MSMEI_3069, fabG, mabA
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 4 x NAP
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P212121
Unit cell:
a: 52.14Å b: 69.39Å c: 223.65Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.168 0.219
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Antimycobacterial activity and molecular docking of methanolic extracts and compounds of marine fungi from Saldanha and False Bays, South Africa.
Tapfuma et al. (2022)