5GKW

crystal structure of SZ529 complex with (R,R)-cyclopentanediol

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	17319.3	2	UniProt (Q9ZAG3)	Rhodococcus erythropolis
2	C (A)	(1~{R},2~{R})-cyclopentane-1,2-diol	non-polymer		102.1	1	Chemie (6VV)
3	D, E (A, B)	water	water		18.0	144	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
Val 32	Met 32	engineered mutation
Val 78	Met 78	engineered mutation
Val 80	Ile 80	engineered mutation
Phe 114	Leu 114	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34638.6
Non-Polymers*	Number of molecules	1
	Total formula weight	102.1
All*	Total formula weight	34740.8

*Water molecules are not included.