3IN7

Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic

Summary for 3IN7

Entry DOI	10.2210/pdb3in7/pdb
Related	2HUW 3C7I 3IMD 3IMJ 3IN8
Related PRD ID	PRD_000633
Descriptor	Growth factor receptor-bound protein 2, N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide (3 entities in total)
Functional Keywords	ligand preorganization, peptide mimics, golgi apparatus, host-virus interaction, phosphoprotein, sh2 domain, sh3 domain, signaling protein-pseudopeptide ligand complex, signaling protein-peptide complex, signaling protein/peptide
Biological source	Homo sapiens (human)
Cellular location	Nucleus : P62993
Total number of polymer chains	2
Total formula weight	28630.01
Authors	Clements, J.H. (deposition date: 2009-08-11, release date: 2009-11-17, Last modification date: 2023-09-06)
Primary citation	Delorbe, J.E.,Clements, J.H.,Teresk, M.G.,Benfield, A.P.,Plake, H.R.,Millspaugh, L.E.,Martin, S.F. Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131:16758-16770, 2009 Cited by PubMed: 19886660 DOI: 10.1021/ja904698q PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation