5CK6

Crystal structure of SZ348 in complex with cyclopentene oxide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Limonene-1,2-epoxide hydrolase	polymer	155	17385.4	2	UniProt (Q9ZAG3) Pfam (PF07858) In PDB	Rhodococcus erythropolis
2	A, B	(1R,5S)-6-oxabicyclo[3.1.0]hexane	non-polymer		84.1	2	Chemie (3ZS)
3	A	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	A	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
5		water	water		18.0	49	Chemie (HOH)

Sequence modifications

A, B: 2 - 149 (UniProt: Q9ZAG3)

PDB	External Database	Details
Met -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Tyr 80	Ile 80	engineered mutation
Val 114	Leu 114	engineered mutation
Val 116	Ile 116	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34770.8
Non-Polymers*	Number of molecules	6
	Total formula weight	363.8
All*	Total formula weight	35134.7

*Water molecules are not included.