6IMZ

Crystal structure of MTH1 in complex with 18-Crown-6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	7,8-dihydro-8-oxoguanine triphosphatase	polymer	163	18985.6	1	UniProt (P36639) Pfam (PF00293) In PDB	Homo sapiens (Human)	2-hydroxy-dATP diphosphatase,8-oxo-dGTPase,Nucleoside diphosphate-linked moiety X motif 1,Nudix motif 1
2	A	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	A	1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE	non-polymer		264.3	2	Chemie (O4B)
5	A	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine	non-polymer		450.3	1	Chemie (VGH)
6		water	water		18.0	64	Chemie (HOH)

Sequence modifications

A: 3 - 156 (UniProt: P36639)

PDB	External Database	Details
Met 2	-	initiating methionine
Leu 157	-	expression tag
Glu 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	18985.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1271.3
All*	Total formula weight	20256.8

*Water molecules are not included.