3WQR

Crystal structure of pfdxr complexed with inhibitor-12

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast	polymer	488	55829.6	2	UniProt (O96693)	Plasmodium falciparum	1-deoxyxylulose-5-phosphate reductoisomerase, DOXP reductoisomerase, DXP reductoisomerase
2	C, F (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, J (A, B)	[(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid	non-polymer		303.2	2	Chemie (LSX)
5	H, I (B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	K, L (A, B)	water	water		18.0	495	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111659.2
Non-Polymers*	Number of molecules	8
	Total formula weight	2226.1
All*	Total formula weight	113885.3

*Water molecules are not included.