4XBT

Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol

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 (A, B, C, D)	Limonene-1,2-epoxide hydrolase	polymer	155	17309.3	4	UniProt (Q9ZAG3) Pfam (PF07858)	Rhodococcus erythropolis
2	E, G (A, C)	(1S,2S)-cyclohexane-1,2-diol	non-polymer		116.2	2	Chemie (3ZQ)
3	F, H (B, D)	CITRATE ANION	non-polymer		189.1	2	Chemie (FLC)
4	I, J, K, L (A, B, C, D)	water	water		18.0	891	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 74	Leu 74	engineered mutation
Phe 78	Met 78	engineered mutation
Val 103	Leu 103	engineered mutation
Val 114	Leu 114	engineered mutation
Val 116	Ile 116	engineered mutation
Val 139	Phe 139	engineered mutation
Val 147	Leu 147	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	69237.2
Non-Polymers*	Number of molecules	4
	Total formula weight	610.5
All*	Total formula weight	69847.7

*Water molecules are not included.