1WXZ

Crystal structure of adenosine deaminase ligated with a potent inhibitor

Summary for 1WXZ

Entry DOI	10.2210/pdb1wxz/pdb
Descriptor	Adenosine deaminase, ZINC ION, 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, ... (4 entities in total)
Functional Keywords	beta barel, hydrolase
Biological source	Bos taurus (cattle)
Cellular location	Cell membrane ; Peripheral membrane protein ; Extracellular side : P56658
Total number of polymer chains	1
Total formula weight	40831.96
Authors	Kinoshita, T. (deposition date: 2005-02-02, release date: 2005-08-16, Last modification date: 2024-03-13)
Primary citation	Terasaka, T.,Tsuji, K.,Kato, T.,Nakanishi, I.,Kinoshita, T.,Kato, Y.,Kuno, M.,Inoue, T.,Tanaka, K.,Nakamura, K. Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism J.Med.Chem., 48:4750-4753, 2005 Cited by PubMed Abstract: From metabolic considerations and prediction of an inhibitor-induced conformational change, novel adenosine deaminase (ADA) inhibitors with improved activities and oral bioavailability have been developed on the basis of our originally designed non-nucleoside ADA inhibitors. They demonstrated in vivo efficacy in models of inflammation and lymphoma. Furthermore, X-ray crystal structure analysis has revealed a novel induced fit to ADA. PubMed: 16033254 DOI: 10.1021/jm050413g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation