6CMS

Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor

Summary for 6CMS

Entry DOI	10.2210/pdb6cms/pdb
Descriptor	Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine (3 entities in total)
Functional Keywords	protein tyrosine phosphatase, src homology domain 2, inactive state, active mutant, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	61357.15
Authors	Padua, R.A.P.,Sun, Y.,Marko, I.,Pitsawong, W.,Kern, D. (deposition date: 2018-03-06, release date: 2018-11-14, Last modification date: 2023-10-04)
Primary citation	Padua, R.A.P.,Sun, Y.,Marko, I.,Pitsawong, W.,Stiller, J.B.,Otten, R.,Kern, D. Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9:4507-4507, 2018 Cited by PubMed: 30375376 DOI: 10.1038/s41467-018-06814-w PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.68 Å)

Structure validation