3D44

Crystal structure of HePTP in complex with a dually phosphorylated Erk2 peptide mimetic

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 7	polymer	308	35202.7	1	UniProt (P35236) Pfam (PF00102)	Homo sapiens (Human)	Protein-tyrosine phosphatase LC-PTP, Hematopoietic protein-tyrosine phosphatase, HEPTP
2	B (B)	Mitogen-activated protein kinase 1 peptide	polymer	8	1047.0	1	UniProt (P28482)		Extracellular signal-regulated kinase 2, ERK-2, Mitogen-activated protein kinase 2, MAP kinase 2, MAPK 2, p42-MAPK, ERT1
3	C, D, E (A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	F (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	G, H (A, B)	water	water		18.0	271	Chemie (HOH)

Sequence modifications

A: 44 - 339 (UniProt: P35236)

PDB	External Database	Details
Met 32	-	expression tag
Gly 33	-	expression tag
Ser 34	-	expression tag
Asp 35	-	expression tag
Lys 36	-	expression tag
Ile 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
His 40	-	expression tag
His 41	-	expression tag
His 42	-	expression tag
His 43	-	expression tag
Asp 106	Thr 127	engineered mutation
Ser 270	Cys 291	engineered mutation

B: 182 - 189 (UniProt: P28482)

PDB	External Database	Details
Asp 183	Thr 185	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36249.7
Non-Polymers*	Number of molecules	4
	Total formula weight	198.5
All*	Total formula weight	36448.2

*Water molecules are not included.