› 6txa

X-ray diffraction
2.85Å resolution

Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg

Released:
DOI: 10.2210/pdb6txa/pdb
PDB 6txa coloured by chain and viewed from the front.
PDB 6txa coloured by chain and viewed from the side.
PDB 6txa coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Morris ER, Caswell SJ, Kunzelmann S, Arnold LH, Purkiss AG, Kelly G, Taylor IA
Nat Commun 11 3165 (2020)
PMID: 32576829

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Length: 520 amino acids
Theoretical weight: 60.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y3Z3 (Residues: 109-626; Coverage: 83%)
Gene names: MOP5, SAMHD1
Sequence domains: HD domain

Ligands and Environments

5 bound ligands:
Ligand FE 16 x FE
Ligand MG 48 x MG
Ligand XG4 32 x XG4
Ligand CZF 16 x CZF
Ligand SO4 15 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21
Unit cell:
a: 97.782Å b: 172.897Å c: 275.886Å
α: 90° β: 95.2° γ: 90°
R-values:
R R work R free
0.195 0.194 0.212
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 citation in other articles

The HD-Domain Metalloprotein Superfamily: An Apparent Common Protein Scaffold with Diverse Chemistries.
Langton et al. (2020)
3 more