4PVG

Crystal structure of protein tyrosine phosphatase Shp2 catalytic domain complex with small molecular compound L88N79

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	298	34977.7	1	UniProt (Q06124) 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	B (A)	2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid	non-polymer		641.4	1	Chemie (2WT)
3	C (A)	water	water		18.0	18	Chemie (HOH)

Sequence modifications

A: 240 - 528 (UniProt: Q06124)

PDB	External Database	Details
Met 239	-	expression tag
-	Gln 408	deletion
-	Ala 409	deletion
-	Leu 410	deletion
-	Leu 411	deletion
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	1
	Total formula weight	34977.7
Non-Polymers*	Number of molecules	1
	Total formula weight	641.4
All*	Total formula weight	35619.1

*Water molecules are not included.