Crystal structures of adenosine deaminase complexed with potent inhibitors

Summary for 1V79

Related1V78 1V7A
DescriptorAdenosine deaminase, ZINC ION, 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE, ... (4 entities in total)
Functional Keywordsbeta barrel, zinc, hydrolase
Biological sourceBos taurus (cattle)
Cellular locationCell membrane; Peripheral membrane protein; Extracellular side (By similarity) P56658
Total number of polymer chains1
Total molecular weight40749.3
Kinoshita, T. (deposition date: 2003-12-14, release date: 2004-12-21, Last modification date: 2011-07-13)
Primary citation
Terasaka, T.,Okumura, H.,Tsuji, K.,Kato, T.,Nakanishi, I.,Kinoshita, T.,Kato, Y.,Kuno, M.,Seki, N.,Naoe, Y.,Inoue, T.,Tanaka, K.,Nakamura, K.
Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors
J.Med.Chem., 47:2728-2731, 2004
PubMed: 15139750 (PDB entries with the same primary citation)
DOI: 10.1021/jm0499559
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers252.9%15.5%0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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