8S0S

A fragment-based inhibitor of SHP2

This is a non-PDB format compatible entry.

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, B)	Tyrosine-protein phosphatase non-receptor type 11	polymer	537	61899.8	2	UniProt (Q06124) Pfam (PF00017) Pfam (PF00102)	Homo sapiens (human)	Protein-tyrosine phosphatase 1D,PTP-1D,Protein-tyrosine phosphatase 2C,PTP-2C,SH-PTP2,SHP-2,Shp2,SH-PTP3
2	C, D (A, B)	(1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine	non-polymer		407.9	2	Chemie (A1H4H)
3	E, F (A, B)	water	water		18.0	459	Chemie (HOH)

Sequence modifications

A, B: 1 - 528 (UniProt: Q06124)

PDB	External Database	Details
His 0	-	expression tag
Leu 529	-	expression tag
Glu 530	-	expression tag
His 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	123799.6
Non-Polymers*	Number of molecules	2
	Total formula weight	815.8
All*	Total formula weight	124615.4

*Water molecules are not included.