8U7W

Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7

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	539	62090.0	2	UniProt (Q06124) Pfam (PF00017) Pfam (PF00102)	Homo sapiens (human)
2	C, D (A, B)	1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine	non-polymer		420.4	2	Chemie (W8I)
3	E, F (A, B)	water	water		18.0	618	Chemie (HOH)

Sequence modifications

A, B: 1 - 525 (UniProt: Q06124)

PDB	External Database	Details
Met -13	-	initiating methionine
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	124179.9
Non-Polymers*	Number of molecules	2
	Total formula weight	840.7
All*	Total formula weight	125020.7

*Water molecules are not included.