› 5kit

X-ray diffraction
1.6Å resolution

Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37

Released:
DOI: 10.2210/pdb5kit/pdb
PDB entry 5kit coloured by chain, front view.
PDB entry 5kit coloured by chain, side view.
PDB entry 5kit coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
Zak M, Yuen PW, Liu X, Patel S, Sampath D, Oeh J, Liederer BM, Wang W, O'Brien T, Xiao Y, Skelton N, Hua R, Sodhi J, Wang Y, Zhang L, Zhao G, Zheng X, Ho YC, Bair KW, Dragovich PS
J Med Chem 59 8345-68 (2016)
PMID: 27541271

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

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155082 (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: Escherichia coli
UniProt:
  • Canonical: P43490 (Residues: 1-491; Coverage: 100%)
Gene names: NAMPT, PBEF, PBEF1
Sequence domains:
Structure domains: Aldolase class I

Ligands and Environments

3 bound ligands:
Ligand 6TA 2 x 6TA
Ligand PO4 6 x PO4
Ligand EDO 9 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 60.748Å b: 106.589Å c: 83.32Å
α: 90° β: 96.65° γ: 90°
R-values:
R R work R free
0.139 0.136 0.18
Expression system: Escherichia coli

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Citations

2 review citations

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