4A03

Crystal Structure of Mycobacterium tuberculosis DXR in complex with the antibiotic FR900098 and cofactor 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	1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE	polymer	398	41701.0	2	UniProt (P64012) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) UniProt (by SIFTS) (P9WNS1) In PDB	MYCOBACTERIUM TUBERCULOSIS	DXP REDUCTOISOMERASE, 1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERASE, 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE SYNTHASE
2	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	A, B	3-[ethanoyl(hydroxy)amino]propylphosphonic acid	non-polymer		197.1	2	Chemie (F98)
4	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	529	Chemie (HOH)

Sequence modifications

A, B: 2 - 389 (UniProt: P64012)

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
Val 1	-	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	2087.1
All*	Total formula weight	85489.0

*Water molecules are not included.