5ANT

Potent and selective inhibitors of MTH1 probe its role in cancer cell survival

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	7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE	polymer	175	20011.6	3	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, B, C	2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one	non-polymer		329.4	3	Chemie (RJE)
3		water	water		18.0	227	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 156 (UniProt: P36639)

PDB	External Database	Details
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	3
	Total formula weight	60034.9
Non-Polymers*	Number of molecules	3
	Total formula weight	988.1
All*	Total formula weight	61023.0

*Water molecules are not included.