2HUW

X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand

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	116	13687.5	2	UniProt (P62993) Pfam (PF00017) In PDB	Homo sapiens (human)	Adapter protein GRB2, SH2/SH3 adapter GRB2, Protein Ash
2	A, B	N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide	non-polymer		527.5	2	Chemie (YVN)
3	B	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4		water	water		18.0	151	Chemie (HOH)

Sequence modifications

A, B: 53 - 162 (UniProt: P62993)

PDB	External Database	Details
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag
His 168	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27374.9
Non-Polymers*	Number of molecules	3
	Total formula weight	1149.9
All*	Total formula weight	28524.8

*Water molecules are not included.