21HL

Crystal structure of the R85K mutant form of human dUTPase in complex with dUMP

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 (A, B, C)	Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial	polymer	161	17551.7	3	UniProt (P33316) Pfam (PF00692)	Homo sapiens (human)	dUTPase,dUTP pyrophosphatase
2	D, E, F (A, B, C)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	3	Chemie (UMP) PubChem (65063)
3	G, H, I (A, B, C)	water	water		18.0	191	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 141 (UniProt: P33316)

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
His -1	-	expression tag
His 0	-	expression tag
Ala 62	Arg 173	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	52655.2
Non-Polymers*	Number of molecules	3
	Total formula weight	924.5
All*	Total formula weight	53579.7

*Water molecules are not included.