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Structure paper

TitleAb initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
Journal, issue, pagesTo be Published
Publish dateDec 28, 2009 (structure data deposition date)
AuthorsOzawa, M. / Ozawa, T. / Tsuji, E. / Okazaki, K. / Takeda, K.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-3ac5:
Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-KZM:
5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TYROSINE-PROTEIN KINASE / ATP-BINDING / PHOSPHORYLATION / SIGNAL TRANSDUCTION / KINASE / SH2 DOMAIN / SH3 DOMAIN

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