1ESQ

CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) WITH ATP AND THIAZOLE 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, C	HYDROXYETHYLTHIAZOLE KINASE	polymer	284	29629.6	3	UniProt (P39593) Pfam (PF02110) In PDB	Bacillus subtilis	THZ KINASE
2	A, B, C	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
3	A, B, C	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	3	Chemie (ATP)
4	A, B, C	4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE	non-polymer		223.2	3	Chemie (TZP)
5	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	179	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 272 (UniProt: P39593)

PDB	External Database	Details
Met -11	-	expression tag
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 198	Cys 198	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	88888.9
Non-Polymers*	Number of molecules	13
	Total formula weight	2433.0
All*	Total formula weight	91321.9

*Water molecules are not included.