6MC1

Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Dual specificity protein phosphatase 10	polymer	152	17450.0	6	UniProt (Q9Y6W6) Pfam (PF00782)	Homo sapiens (Human)	Mitogen-activated protein kinase phosphatase 5,MKP-5
2	G, H, K, M, O... (A, B, C, D, E...)	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one	non-polymer		364.5	6	Chemie (CJA)
3	I, L, N, P, R (B, C, D, E, F)	2,3-DIHYDROXY-1,4-DITHIOBUTANE	non-polymer		154.3	5	Chemie (DTT)
4	J (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)

Sequence modifications

A, B, C, D, E, F: 320 - 467 (UniProt: Q9Y6W6)

PDB	External Database	Details
Gly 316	-	expression tag
Ser 317	-	expression tag
His 318	-	expression tag
Met 319	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	104699.8
Non-Polymers*	Number of molecules	12
	Total formula weight	3017.6
All*	Total formula weight	107717.4

*Water molecules are not included.