3I93

Crystal structure of Mycobacterium tuberculosis dUTPase STOP138T 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	158	16568.9	1	UniProt (P0A552) Pfam (PF00692) UniProt (by SIFTS) (P9WNS5)	Mycobacterium tuberculosis	dUTPase, dUTP pyrophosphatase
2	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	C (A)	2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE	non-polymer		467.2	1	Chemie (DUP)
4	D, E (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	2	Chemie (TRS)
5	F (A)	water	water		18.0	105	Chemie (HOH)

Sequence modifications

A: 1 - 138 (UniProt: P0A552)

PDB	External Database	Details
Met -19	-	expression tag
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	1
	Total formula weight	16568.9
Non-Polymers*	Number of molecules	4
	Total formula weight	735.7
All*	Total formula weight	17304.6

*Water molecules are not included.