5CLK

Crystal structure of SZ348 in complex 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 (A, B)	Limonene-1,2-epoxide hydrolase	polymer	155	17385.4	2	UniProt (Q9ZAG3) Pfam (PF07858)	Rhodococcus erythropolis
2	C, D, E (A)	NICKEL (II) ION	non-polymer		58.7	3	Chemie (NI)
3	F, J (A, B)	(1S,2S)-cyclohexane-1,2-diol	non-polymer		116.2	2	Chemie (3ZQ)
4	G, H, K, L (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
5	I (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	M, N (A, B)	water	water		18.0	64	Chemie (HOH)

Sequence modifications

A, B: 2 - 149 (UniProt: Q9ZAG3)

PDB	External Database	Details
Met -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Tyr 80	Ile 80	engineered mutation
Val 114	Leu 114	engineered mutation
Val 116	Ile 116	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34770.8
Non-Polymers*	Number of molecules	10
	Total formula weight	600.2
All*	Total formula weight	35371.1

*Water molecules are not included.