6F22

Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	7,8-dihydro-8-oxoguanine triphosphatase	polymer	159	18253.7	2	UniProt (P36639) Pfam (PF00293)	Homo sapiens (Human)	2-hydroxy-dATP diphosphatase,8-oxo-dGTPase,Nucleoside diphosphate-linked moiety X motif 1,Nudix motif 1
2	C, I (A, B)	(3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine	non-polymer		280.3	2	Chemie (C9B)
3	D, E, F, G, H... (A, B)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
4	O, P (A, B)	water	water		18.0	176	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	36507.5
Non-Polymers*	Number of molecules	12
	Total formula weight	1521.3
All*	Total formula weight	38028.8

*Water molecules are not included.