6DWK

SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket

Summary for 6DWK

• Entry DOI: 10.2210/pdb6dwk/pdb
• Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, GUANOSINE-5'-TRIPHOSPHATE, ... (10 entities in total)
• Functional Keywords: complex, deoxynucleoside triphosphate triphosphohydrolase, dntpase, nucleotide analogue, fludarabine-tp, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 261851.21

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; PubMed: 30305425; DOI: 10.1073/pnas.1805593115

Experimental method

X-RAY DIFFRACTION (2.3 Å)