› 6rr2

X-ray diffraction
1.99Å resolution

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative

Released:
DOI: 10.2210/pdb6rr2/pdb
PDB 6rr2 coloured by chain and viewed from the front.
PDB 6rr2 coloured by chain and viewed from the side.
PDB 6rr2 coloured by chain and viewed from the top.
Source organism: Listeria monocytogenes EGD-e
Primary publication:
From substrate to fragments to inhibitor active in vivo against Staphylococcus aureus.
Gelin M, Paoletti J, Nahori MA, Huteau V, Leseigneur C, Jouvion G, Dugué L, Clément D, Pons JL, Assairi L, Pochet S, Labesse G, Dussurget O
ACS Infect Dis (2020)
PMID: 32017533

Function and Biology Details

Reaction catalysed: 
ATP + NAD(+) = ADP + NADP(+)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 272 amino acids
Theoretical weight: 31.05 KDa
Source organism: Listeria monocytogenes EGD-e
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8Y8D7 (Residues: 1-264; Coverage: 100%)
Gene names: lmo0968, nadK1
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand CIT 1 x CIT
Ligand KF5 1 x KF5
Ligand MTA 1 x MTA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: I222
Unit cell:
a: 62.769Å b: 75.474Å c: 118.358Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.203 0.229
Expression system: Escherichia coli

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Citations

3 citation in other articles

NAD kinase promotes Staphylococcus aureus pathogenesis by supporting production of virulence factors and protective enzymes.
Leseigneur et al. (2022)
2 more