6JK6

Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2

Summary for 6JK6

• Entry DOI: 10.2210/pdb6jk6/pdb
• Descriptor: Chitotriosidase-1, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide (3 entities in total)
• Functional Keywords: chitnase, complex, chitotriosidase, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 43559.72

Authors

Jiang, X.,Yang, Q. (deposition date: 2019-02-27, release date: 2020-02-19, Last modification date: 2023-11-22)

• Primary citation: Jiang, X.,Kumar, A.,Motomura, Y.,Liu, T.,Zhou, Y.,Moro, K.,Zhang, K.Y.J.,Yang, Q.; A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.; J.Med.Chem., 63:987-1001, 2020; PubMed: 31928006; DOI: 10.1021/acs.jmedchem.9b01154

Experimental method

X-RAY DIFFRACTION (1.571 Å)