8S0O

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	Tyrosine-protein phosphatase non-receptor type 11	polymer	537	61899.8	2	UniProt (Q06124) Pfam (PF00017) Pfam (PF00102) In PDB	Homo sapiens (human)	Protein-tyrosine phosphatase 1D,PTP-1D,Protein-tyrosine phosphatase 2C,PTP-2C,SH-PTP2,SHP-2,Shp2,SH-PTP3
2	A, B	FORMIC ACID	non-polymer		46.0	2	Chemie (FMT)
3	A, B	3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine	non-polymer		461.0	2	Chemie (A1H4G)
4		water	water		18.0	784	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	4
	Total formula weight	1014.0
All*	Total formula weight	124813.6

*Water molecules are not included.