› 4bzb

X-ray diffraction
1.83Å resolution

Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core

Released:
DOI: 10.2210/pdb4bzb/pdb
PDB entry 4bzb coloured by chain, front view.
PDB entry 4bzb coloured by chain, side view.
PDB entry 4bzb 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: 63.43 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

2 bound ligands:
Ligand DGT 12 x DGT
Ligand MG 8 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P21
Unit cell:
a: 87.203Å b: 146.746Å c: 98.723Å
α: 90° β: 114.42° γ: 90°
R-values:
R R work R free
0.19 0.189 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

20 review citations

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

17 mentions without citation

Functional organization of human SAMHD1 and mechanisms of HIV-1 restriction.
Ahn J. (2016)
16 more