1CJ1

GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE

Summary for 1CJ1

• Entry DOI: 10.2210/pdb1cj1/pdb
• Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2), [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER (3 entities in total)
• Functional Keywords: signal transduction, sh2 domain, phosphotyrosine, signaling protein
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : P62993
• Total number of polymer chains: 12
• Total formula weight: 142155.80

Authors

Rahuel, J. (deposition date: 1999-04-21, release date: 1999-12-22, Last modification date: 2023-08-02)

Primary citation

Furet, P.,Garcia-Echeverria, C.,Gay, B.,Schoepfer, J.,Zeller, M.,Rahuel, J.
Structure-based design, synthesis, and X-ray crystallography of a high-affinity antagonist of the Grb2-SH2 domain containing an asparagine mimetic.
J.Med.Chem., 42:2358-2363, 1999

PubMed Abstract: Previous efforts in the search for molecules capable of blocking the associations between the activated tyrosine kinase growth factor receptors and the SH2 domain of Grb2 had resulted in the identification of 3-amino-Z-pTyr-Ac6c-Asn-NH2, a high-affinity and selective antagonist of this SH2 domain. In the present paper, we report the successful replacement of asparagine in this compound by a beta-amino acid mimetic, which brings us closer to our objective of identifying a Grb2-SH2 antagonist suitable for pharmacological investigations.

PubMed: 10395476
DOI: 10.1021/jm991013u

Experimental method

X-RAY DIFFRACTION (3 Å)