› 5w49

X-ray diffraction
2.4Å resolution

The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to oxadiazole inhibitor

Released:
DOI: 10.2210/pdb5w49/pdb
PDB entry 5w49 coloured by chain, front view.
PDB entry 5w49 coloured by chain, side view.
PDB entry 5w49 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Uchiyama N, Dougan DR, Lawson JD, Kimura H, Matsumoto SI, Tanaka Y, Kawamoto T
Biochem Biophys Res Commun 491 1-7 (2017)
PMID: 28533090

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149993 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosylhomocysteinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 429 amino acids
Theoretical weight: 47.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P23526 (Residues: 4-432; Coverage: 99%)
Gene names: AHCY, SAHH
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand NAD 2 x NAD
Ligand EDO 14 x EDO
Ligand 9W1 2 x 9W1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: C2221
Unit cell:
a: 92.862Å b: 136.102Å c: 186.728Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.226
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

A Review of Small-Molecule Inhibitors of One-Carbon Enzymes: SHMT2 and MTHFD2 in the Spotlight.
Cuthbertson et al. (2021)
3 other articles

1 mention without citation

Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba.
Tillery et al. (2021)