4JHZ

Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide

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)	Beta-glucuronidase	polymer	603	69099.3	2	UniProt (P05804) Pfam (PF02837) Pfam (PF00703) Pfam (PF02836)	Escherichia coli	GUS, Beta-D-glucuronoside glucuronosohydrolase
2	C, D (A, B)	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide	non-polymer		419.5	2	Chemie (1KV)
3	E, F (A, B)	water	water		18.0	124	Chemie (HOH)

Sequence modifications

A, B: 1 - 601 (UniProt: P05804)

PDB	External Database	Details
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	138198.6
Non-Polymers*	Number of molecules	2
	Total formula weight	839.0
All*	Total formula weight	139037.6

*Water molecules are not included.