5XD5

Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP, magnesium fluoride and phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Hydrolase, NUDIX family protein	polymer	342	38153.1	2	UniProt (A0QUZ2) Pfam (PF00293) Pfam (PF00300)	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)
2	C, S (B, A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
3	D (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	E, F, G, H, T... (B, A)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
5	I, J, K, L, W... (B, A)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
6	AA, BA, CA, M, N... (A, B)	FLUORIDE ION	non-polymer		19.0	6	Chemie (F)
7	DA, EA, FA, GA, P... (A, B)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
8	HA, IA (B, A)	water	water		18.0	445	Chemie (HOH)

Sequence modifications

B, A: 1 - 322 (UniProt: A0QUZ2)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76306.3
Non-Polymers*	Number of molecules	31
	Total formula weight	2310.6
All*	Total formula weight	78616.9

*Water molecules are not included.