3IN7

Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained 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 (A, C)	Growth factor receptor-bound protein 2	polymer	117	13758.5	2	UniProt (P62993) Pfam (PF00017)	Homo sapiens (human)	Adapter protein GRB2, SH2/SH3 adapter GRB2, Protein Ash
2	C, D (A, C)	N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide	non-polymer		556.5	2	BIRD (PRD_000633) Chemie (AYQ)
3	E, F (A, C)	water	water		18.0	119	Chemie (HOH)

Sequence modifications

A, C: 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	1112.9
All*	Total formula weight	28630.0

*Water molecules are not included.