6D65

Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1	polymer	520	57103.6	2	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, D (B, D)	Designed AR protein off7	polymer	169	18308.5	2		synthetic construct
3	E, F, G, OA, S... (A, C)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
4	CA, DA, EA, FA, GA... (C, A, B, D)	SULFATE ION	non-polymer		96.1	23	Chemie (SO4)
5	AA, AB, BA, BB, LA... (B, D, C, A)	ETHANOL	non-polymer		46.1	21	Chemie (EOH)
6	CB, DB, EB, FB (A, B, C, D)	water	water		18.0	606	Chemie (HOH)

Sequence modifications

A, C: 2 - 366 (UniProt: P0AEX9)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 83	Asp 108	engineered mutation
Ala 84	Lys 109	engineered mutation
Ala 173	Glu 198	engineered mutation
Ala 174	Asn 199	engineered mutation
Ala 240	Lys 265	engineered mutation
Ala 360	Glu 385	engineered mutation
Ala 363	Lys 388	engineered mutation
Ala 364	Asp 389	engineered mutation
Thr 367	-	linker
Asn 368	-	linker
Ala 369	-	linker
Ala 370	-	linker
Ala 371	-	linker

A, C: 372 - 514 (UniProt: P28562)

PDB	External Database	Details
Ser 458	Cys 258	engineered mutation
His 515	-	expression tag
His 516	-	expression tag
His 517	-	expression tag
His 518	-	expression tag
His 519	-	expression tag
His 520	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	150824.2
Non-Polymers*	Number of molecules	50
	Total formula weight	3729.4
All*	Total formula weight	154553.6

*Water molecules are not included.