1IJR

Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic

Summary for 1IJR

• Entry DOI: 10.2210/pdb1ijr/pdb
• Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID (2 entities in total)
• Functional Keywords: tyrosine-protein kinase, transferase-signaling protein complex, transferase/signaling protein
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P06239
• Total number of polymer chains: 1
• Total formula weight: 12449.84

Authors

Kawahata, N.H.,Yang, M.H.,Luke, G.P.,Shakespeare, W.C.,Sundaramoorthi, R. (deposition date: 2001-04-27, release date: 2002-05-01, Last modification date: 2024-02-07)

Primary citation

Kawahata, N.,Yang, M.G.,Luke, G.P.,Shakespeare, W.C.,Sundaramoorthi, R.,Wang, Y.,Johnson, D.,Merry, T.,Violette, S.,Guan, W.,Bartlett, C.,Smith, J.,Hatada, M.,Lu, X.,Dalgarno, D.C.,Eyermann, C.J.,Bohacek, R.S.,Sawyer, T.K.
A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11:2319-2323, 2001

PubMed Abstract: The novel phosphotyrosine (pTyr) mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp) has been designed and incorporated into a series of nonpeptide inhibitors of the SH2 domain of pp60(c-Src) (Src) tyrosine kinase. A 2.2 A X-ray crystal structure of 1a bound to a mutant form of Lck SH2 domain provides insight regarding the structure-activity relationships and supports the design concept of this new pTyr mimetic.

PubMed: 11527723
DOI: 10.1016/S0960-894X(01)00446-2

Experimental method

X-RAY DIFFRACTION (2.2 Å)