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Structure paper

TitleNew insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 71, Page 1455-1470, Year 2015
Publish dateOct 1, 2014 (structure data deposition date)
AuthorsFadel, F. / Zhao, Y. / Cachau, R. / Cousido-Siah, A. / Ruiz, F.X. / Harlos, K. / Howard, E. / Mitschler, A. / Podjarny, A.
External linksActa Crystallogr. ,Sect. D / PubMed:26143917
MethodsX-ray diffraction
Resolution0.95 - 1.102 Å
Structure data

PDB-4wjx:
Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-4wk9:
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.102 Å

PDB-4wka:
Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution
Method: X-RAY DIFFRACTION / Resolution: 0.95 Å

PDB-4wkf:
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.101 Å

PDB-4wkh:
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

Chemicals

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / CHIT1 / GH18 chitinase / protonation states / hydrolysis / catalytic mechanism

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