5MZG

Crystal structure of mouse MTH1 in complex with TH588

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	7,8-dihydro-8-oxoguanine triphosphatase	polymer	176	20101.7	2	UniProt (P53368) Pfam (PF00293) In PDB	Mus musculus (House Mouse)	2-hydroxy-dATP diphosphatase,8-oxo-dGTPase,Nucleoside diphosphate-linked moiety X motif 1,Nudix motif 1
2	A, B	N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine	non-polymer		295.2	2	Chemie (2GE)
3	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	A, B	THIOCYANATE ION	non-polymer		58.1	4	Chemie (SCN)
5		water	water		18.0	156	Chemie (HOH)

Sequence modifications

A, B: 1 - 156 (UniProt: P53368)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40203.3
Non-Polymers*	Number of molecules	9
	Total formula weight	1110.9
All*	Total formula weight	41314.2

*Water molecules are not included.