› 5wi0

X-ray diffraction
2.05Å resolution

Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one

Released:
DOI: 10.2210/pdb5wi0/pdb
PDB entry 5wi0 coloured by chain, front view.
PDB entry 5wi0 coloured by chain, side view.
PDB entry 5wi0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based discovery of a potent NAMPT inhibitor.
Korepanova A, Longenecker KL, Pratt SD, Panchal SC, Clark RF, Lake M, Gopalakrishnan SM, Raich D, Sun C, Petros AM
Bioorg Med Chem Lett 28 437-440 (2018)
PMID: 29287958

Function and Biology Details

Reaction catalysed: 
Nicotinamide D-ribonucleotide + diphosphate = nicotinamide + 5-phospho-alpha-D-ribose 1-diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-155081 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nicotinamide phosphoribosyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 491 amino acids
Theoretical weight: 55.59 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P43490 (Residues: 1-491; Coverage: 100%)
Gene names: NAMPT, PBEF, PBEF1
Sequence domains:
Structure domains: Aldolase class I

Ligands and Environments

1 bound ligand:
Ligand AQ1 2 x AQ1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 61.226Å b: 106.856Å c: 82.881Å
α: 90° β: 96.83° γ: 90°
R-values:
R R work R free
0.221 0.219 0.247
Expression system: Homo sapiens

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Citations

1 review citation

Recent Advances in NAMPT Inhibitors: A Novel Immunotherapic Strategy.
Galli et al. (2020)
1 other article