6APX

Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1	polymer	520	57103.6	1	UniProt (P0AEX9) UniProt (P28562) Pfam (PF01547) Pfam (PF00782)	Escherichia coli (strain K12)	MBP,MMBP,Maltodextrin-binding protein,Dual specificity protein phosphatase hVH1,Mitogen-activated protein kinase phosphatase 1,MKP-1,Protein-tyrosine phosphatase CL100
2	B (B)	Monobody YSX1	polymer	96	10415.6	1		synthetic construct
3	C, D, E (A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	F (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	G, H (A, B)	water	water		18.0	81	Chemie (HOH)

Sequence modifications

A: 1 - 366 (UniProt: P0AEX9)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 82	Asp 108	engineered mutation
Ala 83	Lys 109	engineered mutation
Ala 172	Glu 198	engineered mutation
Ala 173	Asn 199	engineered mutation
Ala 239	Lys 265	engineered mutation
Ala 359	Glu 385	engineered mutation
Ala 362	Lys 388	engineered mutation
Ala 363	Asp 389	engineered mutation
Asn 367	-	linker
Ala 368	-	linker
Ala 369	-	linker
Ala 370	-	linker

A: 1172 - 1314 (UniProt: P28562)

PDB	External Database	Details
Ser 1258	Cys 258	engineered mutation
His 1315	-	expression tag
His 1316	-	expression tag
His 1317	-	expression tag
His 1318	-	expression tag
His 1319	-	expression tag
His 1320	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67519.2
Non-Polymers*	Number of molecules	4
	Total formula weight	380.3
All*	Total formula weight	67899.5

*Water molecules are not included.