7XEF

Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol

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	17304.4	4	UniProt (Q9ZAG3) Pfam (PF07858) In PDB	Rhodococcus erythropolis
2	A, B, C, D	[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol	non-polymer		267.4	4	Chemie (D0I)
3	A, C, D	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
4	A, B, C, D	SODIUM ION	non-polymer		23.0	6	Chemie (NA)
5	C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6		water	water		18.0	701	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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	69217.7
Non-Polymers*	Number of molecules	18
	Total formula weight	1748.0
All*	Total formula weight	70965.7

*Water molecules are not included.