5EDD

Crystal structure of Mycobacterium tuberculosis dUTPase R140K, H145W mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Deoxyuridine 5'-triphosphate nucleotidohydrolase	polymer	174	18012.4	1	UniProt (A5U649) Pfam (PF00692) UniProt (by SIFTS) (P9WNS5)	Mycobacterium tuberculosis	dUTPase,dUTP pyrophosphatase
2	B (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
3	C (A)	2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE	non-polymer		467.2	1	Chemie (DUP)
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E (A)	water	water		18.0	159	Chemie (HOH)

Sequence modifications

A: 1 - 154 (UniProt: A5U649)

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
Lys 140	Arg 140	engineered mutation
Trp 145	His 145	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	18012.4
Non-Polymers*	Number of molecules	3
	Total formula weight	613.6
All*	Total formula weight	18626.0

*Water molecules are not included.