3UD5

Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	polymer	158	17966.5	1	UniProt (P26281) Pfam (PF01288) In PDB	Escherichia coli	6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, PPPK, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, HPPK
2	A	5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine	non-polymer		584.7	1	Chemie (J1A)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4		water	water		18.0	106	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17966.5
Non-Polymers*	Number of molecules	3
	Total formula weight	708.8
All*	Total formula weight	18675.3

*Water molecules are not included.