6DWD

SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket

Summary for 6DWD

Entry DOI	10.2210/pdb6dwd/pdb
Descriptor	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, GUANOSINE-5'-TRIPHOSPHATE, ... (10 entities in total)
Functional Keywords	complex, deoxynucleoside triphosphate triphosphohydrolase, dntpase, nucleotide analogue, clofarabine-tp, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	261862.43
Authors	Knecht, K.M.,Buzovetsky, O.,Schneider, C.,Thomas, D.,Srikanth, V.,Kaderali, L.,Tofoleanu, F.,Reiss, K.,Ferreiros, N.,Geisslinger, G.,Batista, V.S.,Ji, X.,Cinatl, J.,Keppler, O.T.,Xiong, Y. (deposition date: 2018-06-26, release date: 2018-10-10, Last modification date: 2024-03-13)
Primary citation	Knecht, K.M.,Buzovetsky, O.,Schneider, C.,Thomas, D.,Srikanth, V.,Kaderali, L.,Tofoleanu, F.,Reiss, K.,Ferreiros, N.,Geisslinger, G.,Batista, V.S.,Ji, X.,Cinatl Jr., J.,Keppler, O.T.,Xiong, Y. The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115:E10022-E10031, 2018 Cited by PubMed: 30305425 DOI: 10.1073/pnas.1805593115 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation