3G02

Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger generated by directed evolution

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)	Epoxide hydrolase	polymer	408	46047.1	2	UniProt (Q9UR30)	Aspergillus niger
2	C, D, E (A, B)	FORMIC ACID	non-polymer		46.0	3	Chemie (FMT)
3	F, G (A, B)	water	water		18.0	706	Chemie (HOH)

Sequence modifications

A, B: 5 - 398 (UniProt: Q9UR30)

PDB	External Database	Details
Met 0	-	initiating methionine
Asn 1	-	expression tag
His 2	-	expression tag
Lys 3	-	expression tag
Ala 4	-	expression tag
Phe 215	Leu 215	engineered mutation
Asn 217	Ala 217	engineered mutation
Ser 219	Arg 219	engineered mutation
Tyr 249	Leu 249	engineered mutation
Trp 317	Thr 317	engineered mutation
Val 318	Thr 318	engineered mutation
Pro 329	Met 329	engineered mutation
Tyr 330	Leu 330	engineered mutation
Val 350	Cys 350	engineered mutation
Gly 399	-	expression tag
Arg 400	-	expression tag
Ser 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92094.3
Non-Polymers*	Number of molecules	3
	Total formula weight	138.1
All*	Total formula weight	92232.3

*Water molecules are not included.