8OGH

Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis with butylacetylphosphonate (BAP) bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	1-deoxy-D-xylulose-5-phosphate synthase	polymer	604	63685.1	2	UniProt (P9WNS3) Pfam (PF13292) Pfam (PF02779) Pfam (PF02780) In PDB	Mycobacterium tuberculosis H37Rv	1-deoxyxylulose-5-phosphate synthase,DXP synthase,DXPS
2	A, B	[(S)-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-butoxy-phosphinic acid	non-polymer		605.5	2	Chemie (VMI)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
5	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7		water	water		18.0	1318	Chemie (HOH)

Sequence modifications

A, B: 1 - 227 (UniProt: P9WNS3)

PDB	External Database	Details
Gly -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Gly 0	-	expression tag

A, B: 235 - 638 (UniProt: P9WNS3)

PDB	External Database	Details
Gly 228	-	linker
Gly 229	-	linker
Gly 230	-	linker
Gly 231	-	linker
Gly 232	-	linker
Gly 233	-	linker
Gly 234	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	127370.2
Non-Polymers*	Number of molecules	16
	Total formula weight	2078.4
All*	Total formula weight	129448.6

*Water molecules are not included.