3IMD

Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-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	N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide	non-polymer		558.5	2	BIRD (PRD_000630) Chemie (FYQ)
3	A, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5		water	water		18.0	191	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	7
	Total formula weight	1283.1
All*	Total formula weight	28800.2

*Water molecules are not included.