4KP7

Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin

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	427	48652.0	2	UniProt (O96693) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288)	Plasmodium falciparum	1-deoxyxylulose-5-phosphate reductoisomerase, DOXP reductoisomerase, DXP reductoisomerase
2	C, F (A, B)	MANGANESE (III) ION	non-polymer		54.9	2	Chemie (MN3)
3	D (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
4	E, G (A, B)	[(S)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid	non-polymer		291.3	2	Chemie (1UQ)
5	H, I (A, B)	water	water		18.0	236	Chemie (HOH)

Sequence modifications

A, B: 74 - 488 (UniProt: O96693)

PDB	External Database	Details
Met 62	-	expression tag
Arg 63	-	expression tag
Gly 64	-	expression tag
Ser 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag
His 71	-	expression tag
Gly 72	-	expression tag
Ser 73	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97304.0
Non-Polymers*	Number of molecules	5
	Total formula weight	1435.8
All*	Total formula weight	98739.8

*Water molecules are not included.