4OOE

M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin 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, C, D	1-deoxy-D-xylulose 5-phosphate reductoisomerase	polymer	404	42443.9	4	UniProt (I6YAH0) 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, C, D	3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID	non-polymer		183.1	4	Chemie (FOM)
3	A, B, C, D	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
4	A, B, C, D	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
5		water	water		18.0	1671	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 389 (UniProt: I6YAH0)

PDB	External Database	Details
Met -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Arg -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Tyr 203	Trp 203	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	169775.5
Non-Polymers*	Number of molecules	12
	Total formula weight	3933.8
All*	Total formula weight	173709.4

*Water molecules are not included.