Het-PDB Navi2 (PDB: 3IN8)

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Ligands
Code	Name		Style	Show	Link
FMT	Formic acid				PoSSuM
FYI	N-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide				PoSSuM

Non-standard Residues
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Download interaction data: 3IN8

Code :

3IN8 PDBj RCSB PDB PDBe

Header :

SIGNALING PROTEIN/PEPTIDE

Title :

Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic

Release Data :

2009-11-17

Compound :

mol_id	molecule	chains	synonym
1	Growth factor receptor-bound protein 2	A	Adapter protein GRB2, SH2/SH3 adapter GRB2, Protein Ash
	fragment: SH2 domain

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: GRB2, ASH expression_system_strain: SG13009 expression_system_vector_type: plasmid expression_system_plasmid: pQE-60

Authors :

Benfield, A.P., Clements, J.H.

Keywords :

ligand preorganization, Golgi apparatus, PEPTIDE MIMICS, Host-virus interaction, Phosphoprotein, SH2 domain, SH3, SIGNALING PROTEIN, SIGNALING PROTEIN-pseudopeptide ligand complex, SIGNALING PROTEIN-PEPTIDE COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 1.700 Å )

Citation :

Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.

Delorbe, J.E.,Clements, J.H.,Teresk, M.G. et al.
(2009) J.Am.Chem.Soc. 131 : 16758 - 16770

PubMed: 19886660
DOI: 10.1021/ja904698q

Ligand Preorganization May Be Accompanied by Entropic Penalties in Protein-Ligand Interactions

Benfield, A.P.,Teresk, M.G.,Plake, H.R. et al.
(2006) Angew.Chem.Int.Ed.Engl. 45 : 6830 - 6835

Chain :	A
UniProt :	P62993 (GRB2_HUMAN)
Reaction :	-

PDB ID: 3IN8

Hetero Atom Contents

Structure summary

Reaction