3IMJ

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Growth factor receptor-bound protein 2	polymer	117	13758.5	2	UniProt (P62993) Pfam (PF00017) In PDB	Homo sapiens (human)	Adapter protein GRB2, SH2/SH3 adapter GRB2, Protein Ash
2	A, B	(1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester	non-polymer		541.5	2	BIRD (PRD_000632) Chemie (AYI)
3		water	water		18.0	182	Chemie (HOH)

Sequence modifications

A, B: 53 - 163 (UniProt: P62993)

PDB	External Database	Details
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag
His 168	-	expression tag
His 169	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27517.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1083.0
All*	Total formula weight	28600.1

*Water molecules are not included.