3O5X

Crystal structure of the oncogenic tyrosine phosphatase SHP2 complexed with a salicylic acid-based small molecule inhibitor

Replaces:  3JRL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tyrosine-protein phosphatase non-receptor type 11	polymer	276	32277.7	1	UniProt (Q06124) Pfam (PF00102) In PDB	Homo sapiens (human)	Protein-tyrosine phosphatase 2C, PTP-2C, Protein-tyrosine phosphatase 1D, PTP-1D, SH-PTP3, SH-PTP2, SHP-2, Shp2
2	A	3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid	non-polymer		557.6	1	Chemie (JZG)
3		water	water		18.0	134	Chemie (HOH)

Sequence modifications

A: 262 - 528 (UniProt: Q06124)

PDB	External Database	Details
Met 261	-	expression tag
-	Gln 408	variant
-	Ala 409	variant
-	Leu 410	variant
-	Leu 411	variant
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	32277.7
Non-Polymers*	Number of molecules	1
	Total formula weight	557.6
All*	Total formula weight	32835.3

*Water molecules are not included.