4RDD

Co-crystal structure of SHP2 in complex with a Cefsulodin derivative

Summary for 4RDD

• Entry DOI: 10.2210/pdb4rdd/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium (3 entities in total)
• Functional Keywords: hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q06124
• Total number of polymer chains: 1
• Total formula weight: 32655.06

Authors

Zhang, Z.Y.,Yu, Z.H.,He, R.,Zhang, R.Y. (deposition date: 2014-09-18, release date: 2015-07-01, Last modification date: 2015-12-16)

• Primary citation: He, R.,Yu, Z.H.,Zhang, R.Y.,Wu, L.,Gunawan, A.M.,Lane, B.S.,Shim, J.S.,Zeng, L.F.,He, Y.,Chen, L.,Wells, C.D.,Liu, J.O.,Zhang, Z.Y.; Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.; ACS Med Chem Lett, 6:782-786, 2015; PubMed: 26191366; DOI: 10.1021/acsmedchemlett.5b00118

Experimental method

X-RAY DIFFRACTION (1.601 Å)