› 4bzc

X-ray diffraction
2.88Å resolution

Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core

Released:
DOI: 10.2210/pdb4bzc/pdb
PDB entry 4bzc coloured by chain, front view.
PDB entry 4bzc coloured by chain, side view.
PDB entry 4bzc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanism of allosteric activation of SAMHD1 by dGTP.
Ji X, Wu Y, Yan J, Mehrens J, Yang H, DeLucia M, Hao C, Gronenborn AM, Skowronski J, Ahn J, Xiong Y
Nat Struct Mol Biol 20 1304-9 (2013)
PMID: 24141705

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195223 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 550 amino acids
Theoretical weight: 63.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y3Z3 (Residues: 113-626; Coverage: 82%)
Gene names: MOP5, SAMHD1
Sequence domains: HD domain
Structure domains: Hypothetical protein af1432

Ligands and Environments

3 bound ligands:
Ligand T8T 12 x T8T
Ligand MN 4 x MN
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 79.002Å b: 138.727Å c: 93.715Å
α: 90° β: 113.56° γ: 90°
R-values:
R R work R free
0.193 0.19 0.245
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

21 review citations

Metabolism, Biochemical Actions, and Chemical Synthesis of Anticancer Nucleosides, Nucleotides, and Base Analogs.
Shelton et al. (2016)
20 more

13 mentions without citation

SAMHD1: Recurring roles in cell cycle, viral restriction, cancer, and innate immunity.
Mauney et al. (2018)
12 more