SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket

Structure

x-ray diffraction · resolution 2.3 · 4 distinct chains.

Ligands and binding sites

• HFD · 2-fluoro-9-{5-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine · ligand · 4 copies · chains A, B, C, D
• GTP · Guanosine-5'-triphosphate · ligand · 4 copies · chains A, C, D, B
• DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · 4 copies · chains A, B, C, D
• NA · Sodium ion · metal · 23 copies · chains A, D, C, B
• MG · Magnesium ion · metal · 9 copies · chains A, B, C, D
• PO4 · Phosphate ion · ion · chains D
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 6DWK · SAMHD1 bound to fludarabine-tp in the catalytic pocket · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9Y3Z3
• Elsewhere: RCSB PDB 6DWK · PDBe 6DWK · UniProt Q9Y3Z3