6BN5

Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2

Summary for 6BN5

Entry DOI	10.2210/pdb6bn5/pdb
Descriptor	Tyrosine-protein phosphatase non-receptor type 11, 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (3 entities in total)
Functional Keywords	shp2, ptpn11, protein tyrosine phosphatase, phosphatase, allosteric inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : Q06124
Total number of polymer chains	2
Total formula weight	121235.48
Authors	Blacklow, S.C.,Stams, T.,Fodor, M.,LaRochelle, J.R. (deposition date: 2017-11-16, release date: 2017-12-13, Last modification date: 2023-10-04)
Primary citation	LaRochelle, J.R.,Fodor, M.,Ellegast, J.M.,Liu, X.,Vemulapalli, V.,Mohseni, M.,Stams, T.,Buhrlage, S.J.,Stegmaier, K.,LaMarche, M.J.,Acker, M.G.,Blacklow, S.C. Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2. Bioorg. Med. Chem., 25:6479-6485, 2017 Cited by PubMed: 29089257 DOI: 10.1016/j.bmc.2017.10.025 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.22 Å)

Structure validation