7PR6

Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	Beta-glucuronidase	polymer	601	68375.5	2	UniProt (P05804) Pfam (PF02837) Pfam (PF00703) Pfam (PF02836)	Escherichia coli (strain K12)	GUS,Beta-D-glucuronoside glucuronosohydrolase
2	C, D (AAA, BBB)	(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid	non-polymer		208.2	2	Chemie (8I4)
3	E, F (AAA, BBB)	water	water		18.0	469	Chemie (HOH)

Sequence modifications

AAA, BBB: 18 - 599 (UniProt: P05804)

PDB	External Database	Details
Ser -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Leu 2	-	expression tag
Arg 3	-	expression tag
Pro 4	-	expression tag
Val 5	-	expression tag
Glu 6	-	expression tag
Thr 7	-	expression tag
Pro 8	-	expression tag
Thr 9	-	expression tag
Arg 10	-	expression tag
Glu 11	-	expression tag
Ile 12	-	expression tag
Lys 13	-	expression tag
Lys 14	-	expression tag
Leu 15	-	expression tag
Asp 16	-	expression tag
Gly 17	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	136751.1
Non-Polymers*	Number of molecules	2
	Total formula weight	416.3
All*	Total formula weight	137167.4

*Water molecules are not included.