5XZR

The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tyrosine-protein phosphatase non-receptor type 11	polymer	557	63851.0	1	UniProt (Q06124) Pfam (PF00017) Pfam (PF00102)	Homo sapiens (Human)	Protein-tyrosine phosphatase 1D,PTP-1D,Protein-tyrosine phosphatase 2C,PTP-2C,SH-PTP2,Shp2,SH-PTP3
2	B (A)	4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine	non-polymer		391.6	1	Chemie (8J6)
3	C (A)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 1 - 534 (UniProt: Q06124)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Ala 76	Glu 76	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63851.0
Non-Polymers*	Number of molecules	1
	Total formula weight	391.6
All*	Total formula weight	64242.6

*Water molecules are not included.