4B1F

Design of Inhibitors of Helicobacter pylori Glutamate Racemase as Selective Antibacterial Agents: Incorporation of Imidazoles onto a Core Pyrazolopyrimidinedione Scaffold to Improve Bioavailabilty

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	GLUTAMATE RACEMASE	polymer	255	28532.2	2	UniProt (Q9ZLT0) Pfam (PF01177) In PDB	HELICOBACTER PYLORI
2	A, B	5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione	non-polymer		442.5	2	Chemie (KRH)
3	A, B	D-GLUTAMIC ACID	non-polymer		147.1	2	Chemie (DGL)
4		water	water		18.0	221	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57064.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1179.3
All*	Total formula weight	58243.7

*Water molecules are not included.