7XEE

Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine

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)	Limonene-1,2-epoxide hydrolase	polymer	155	17304.4	2	UniProt (Q9ZAG3) Pfam (PF07858)	Rhodococcus erythropolis
2	C, H (A, B)	2-(3-phenyloxetan-3-yl)ethanamine	non-polymer		177.2	2	Chemie (CXI)
3	D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	F, G, I (A, B)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
5	J, K (A, B)	water	water		18.0	277	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	34608.9
Non-Polymers*	Number of molecules	7
	Total formula weight	547.6
All*	Total formula weight	35156.5

*Water molecules are not included.