3ANM

Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with 5-phenylpyridin-2-ylmethylphosphonic acid

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	420	45746.4	2	UniProt (P45568) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) In PDB	Escherichia coli	DXP reductoisomerase, 1-deoxyxylulose-5-phosphate reductoisomerase, 2-C-methyl-D-erythritol 4-phosphate synthase
2	A, B	[(5-phenylpyridin-2-yl)methyl]phosphonic acid	non-polymer		249.2	2	Chemie (SYD)
3	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
4		water	water		18.0	381	Chemie (HOH)

Sequence modifications

A, B: 1 - 397 (UniProt: P45568)

PDB	External Database	Details
Met -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 398	-	expression tag
Ala 399	-	expression tag
Cys 400	-	expression tag
Asp 401	-	expression tag
Leu 402	-	expression tag
Gly 403	-	expression tag
Thr 404	-	expression tag
Pro 405	-	expression tag
Gly 406	-	expression tag
Arg 407	-	expression tag
Pro 408	-	expression tag
Ala 409	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91492.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1989.2
All*	Total formula weight	93482.0

*Water molecules are not included.