8V9I

1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound

This is a non-PDB format compatible entry.

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	650	70029.5	2	UniProt (Q9RUB5) Pfam (PF13292) Pfam (PF02779) Pfam (PF02780) In PDB	Deinococcus radiodurans	1-deoxyxylulose-5-phosphate synthase,DXPS
2	A, B	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium	non-polymer		792.6	2	Chemie (A1AAN)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	A	2-HYDROXY BUTANE-1,4-DIOL	non-polymer		105.1	1	Chemie (BGQ)
6		water	water		18.0	580	Chemie (HOH)

Sequence modifications

A, B: 1 - 629 (UniProt: Q9RUB5)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	140059.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1784.9
All*	Total formula weight	141843.9

*Water molecules are not included.