6JJR

Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14

Summary for 6JJR

Entry DOI	10.2210/pdb6jjr/pdb
Descriptor	Chitotriosidase-1, 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide (3 entities in total)
Functional Keywords	chitinase, complex, chitotriosidase, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	43120.25
Authors	Jiang, X.,Yang, Q. (deposition date: 2019-02-26, 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 Cited by PubMed: 31928006 DOI: 10.1021/acs.jmedchem.9b01154 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.834 Å)

Structure validation