7VX2

Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Limonene-1,2-epoxide hydrolase	polymer	155	17310.4	4	UniProt (Q9ZAG3) Pfam (PF07858) In PDB	Rhodococcus erythropolis
2	A, D	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5		water	water		18.0	58	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -5	-	initiating methionine
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Phe 53	Tyr 53	engineered mutation
Ala 55	Asn 55	engineered mutation
Phe 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	4
	Total formula weight	69241.6
Non-Polymers*	Number of molecules	4
	Total formula weight	322.4
All*	Total formula weight	69563.9

*Water molecules are not included.