Het-PDB Navi2 (PDB: 3N84)

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Ligands
Code	Name		Style	Show	Link
CL	Chloride ion				PoSSuM
GOL	Glycerol				PoSSuM

Non-standard Residues
Code	Name	Show
PTR	O-phosphotyrosine
011	7-aminoheptanoic acid

Glycosylation
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Modification
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Download interaction data: 3N84

Code :

3N84 PDBj RCSB PDB PDBe

Header :

protein binding/peptide

Title :

Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP

Release Data :

2011-01-12

Compound :

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

mol_id	molecule	chains
2	23-membered peptide-like macrocyclic ligand	G,H,I,J,K,L
	other_details: pYVNVP-containing sequence

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

mol_id	organism_scientific
2
	synthetic: yes

Authors :

Clements, J.H., Martin, S.F.

Keywords :

ligand preorganization, macrocycles, macrocyclic ligands, Golgi apparatus, Host-virus interaction, Phosphoprotein, protein binding-peptide complex

Exp. method :

X-RAY DIFFRACTION ( 2.0 Å )

Citation :

Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.

Delorbe, J.E.,Clements, J.H.,Whiddon, B.B. et al.
(2010) ACS MED.CHEM.LETT. 1 : 448 - 452

PDB ID: 3N84