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

Summary for 6DWD

DescriptorDeoxynucleoside triphosphate triphosphohydrolase SAMHD1, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine, GUANOSINE-5'-TRIPHOSPHATE, ... (10 entities in total)
Functional Keywordscomplex, deoxynucleoside triphosphate triphosphohydrolase, dntpase, nucleotide analogue, clofarabine-tp, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total molecular weight261862.43
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 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1805593115
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20930 3.9% 5.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-10-21