4Y6P

Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese

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 reductoisomerase, apicoplast	polymer	422	48164.5	2	UniProt (Q8IKG4) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) In PDB	Plasmodium falciparum 3D7	DXP reductoisomerase
2	A, B	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid	non-polymer		329.3	2	Chemie (R77)
3	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
4	B	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	573	Chemie (HOH)

Sequence modifications

A, B: 75 - 488 (UniProt: Q8IKG4)

PDB	External Database	Details
Met 67	-	initiating methionine
Ala 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag
His 71	-	expression tag
His 72	-	expression tag
His 73	-	expression tag
His 74	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96329.0
Non-Polymers*	Number of molecules	6
	Total formula weight	904.7
All*	Total formula weight	97233.6

*Water molecules are not included.