4ZQH

Crystal structure of DOX-P Reductoisomerase in complex with NADPH, fosmidomycin and magnesium

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	432	46485.6	2	UniProt (A0A076U3E6)	Moraxella catarrhalis	DXP reductoisomerase,1-deoxyxylulose-5-phosphate reductoisomerase,2-C-methyl-D-erythritol 4-phosphate synthase
2	C, J (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D, K (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, L (A, B)	3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID	non-polymer		183.1	2	Chemie (FOM)
5	F, H, I, M, N (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
6	G, O (A, B)	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	2	Chemie (NHE)
7	P, Q (A, B)	water	water		18.0	162	Chemie (HOH)

Sequence modifications

A, B: 2 - 414 (UniProt: A0A076U3E6)

PDB	External Database	Details
Met -17	-	initiating methionine
Ala -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Glu -5	-	expression tag
Val -4	-	expression tag
Leu -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Pro 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92971.2
Non-Polymers*	Number of molecules	13
	Total formula weight	2780.7
All*	Total formula weight	95751.9

*Water molecules are not included.