2Y1F

X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH.

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	polymer	398	41701.0	2	UniProt (A2VLK3)	MYCOBACTERIUM TUBERCULOSIS	DXP REDUCTOISOMERASE, 1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERASE, 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE SYNTHASE
2	C (A)	(1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID	non-polymer		328.1	1	Chemie (34F)
3	D, I (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
4	E, G (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
5	F, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	J, K (A, B)	water	water		18.0	495	Chemie (HOH)

Sequence modifications

A, B: 1 - 389 (UniProt: A2VLK3)

PDB	External Database	Details
Thr -8	-	expression tag
Met -7	-	expression tag
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83401.9
Non-Polymers*	Number of molecules	7
	Total formula weight	2120.9
All*	Total formula weight	85522.9

*Water molecules are not included.