3LM8

Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677

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, D	Thiamine pyrophosphokinase	polymer	222	25367.4	4	UniProt (O34664) Pfam (PF04263) Pfam (PF04265) In PDB	Bacillus subtilis	TPK, Thiamine diphosphokinase
2	A, B, C, D	3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM	non-polymer		265.4	4	Chemie (VIB)
3	A, B, C	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	A, B	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
5		water	water		18.0	67	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 214 (UniProt: O34664)

PDB	External Database	Details
Val 203	Ala 203	engineered mutation
Leu 215	-	expression tag
Glu 216	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	101469.8
Non-Polymers*	Number of molecules	13
	Total formula weight	1562.8
All*	Total formula weight	103032.6

*Water molecules are not included.