Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a

Summary for 5NR8

DescriptorChitotriosidase-1, 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, GLYCEROL, ... (4 entities in total)
Functional Keywordschitotriosidase-1 (hchit) catalytic domain in complex with compound 7a, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight43156.15
Podjarny, A.,Fadel, F.,Golebiowski, A. (deposition date: 2017-04-22, release date: 2018-02-21, Last modification date: 2019-10-16)
Primary citation
Mazur, M.,Olczak, J.,Olejniczak, S.,Koralewski, R.,Czestkowski, W.,Jedrzejczak, A.,Golab, J.,Dzwonek, K.,Dymek, B.,Sklepkiewicz, P.L.,Zagozdzon, A.,Noonan, T.,Mahboubi, K.,Conway, B.,Sheeler, R.,Beckett, P.,Hungerford, W.M.,Podjarny, A.,Mitschler, A.,Cousido-Siah, A.,Fadel, F.,Golebiowski, A.
Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61:695-710, 2018
PubMed: 29283260 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b01051
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliers 0.16750 1.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28