Crystal structure of Adenosine deaminase complexed with FR235380

Summary for 1QXL

DescriptorAdenosine deaminase, ZINC ION, 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, ... (4 entities in total)
Functional Keywordsbeta barrel, zinc ion, hydrolase
Biological sourceBos taurus (cattle)
Cellular locationCell membrane ; Peripheral membrane protein ; Extracellular side  P56658
Total number of polymer chains1
Total molecular weight40865.68
Kinoshita, T. (deposition date: 2003-09-08, release date: 2004-09-21, Last modification date: 2017-10-11)
Primary citation
Terasaka, T.,Kinoshita, T.,Kuno, M.,Seki, N.,Tanaka, K.,Nakanishi, I.
Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors
J.Med.Chem., 47:3730-3743, 2004
PubMed: 15239652 (PDB entries with the same primary citation)
DOI: 10.1021/jm0306374
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers15 1.7% 21.1% 0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-23