5KNY

Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic 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, C, D	Hypoxanthine-guanine phosphoribosyltransferase	polymer	207	22969.8	4	UniProt (P9WHQ9) Pfam (PF00156) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	HGPRTase
2	A, B, C, D	[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid	non-polymer		496.3	4	Chemie (YPG)
3	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4		water	water		18.0	29	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 202 (UniProt: P9WHQ9)

PDB	External Database	Details
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	91879.2
Non-Polymers*	Number of molecules	8
	Total formula weight	2082.4
All*	Total formula weight	93961.6

*Water molecules are not included.