5KVC

Thermostable mutant of halohydrin dehalogenase (HheC)

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)	Halohydrin dehalogenase	polymer	254	28223.2	2	UniProt (Q93D82) Pfam (PF13561)	Rhizobium radiobacter (Agrobacterium tumefaciens)
2	C, F, K, M, N (A, B)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
3	D, L (A, B)	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
4	E, O (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	G, H, I, J, P... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
6	R, S (A, B)	water	water		18.0	427	Chemie (HOH)

Sequence modifications

A, B: 3 - 254 (UniProt: Q93D82)

PDB	External Database	Details
His 1	-	expression tag
Ala 2	-	expression tag
Leu 29	Ala 29	engineered mutation
Lys 39	Asp 39	engineered mutation
Arg 64	Glu 64	engineered mutation
Arg 68	Ser 68	engineered mutation
Arg 87	Gln 87	engineered mutation
Thr 93	Ala 93	engineered mutation
Asn 153	Cys 153	engineered mutation
Val 158	Ala 158	engineered mutation
Thr 190	Glu 190	engineered mutation
Lys 197	Glu 197	engineered mutation
Ile 199	Val 199	engineered mutation
Ile 236	Val 236	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	56446.4
Non-Polymers*	Number of molecules	15
	Total formula weight	733.8
All*	Total formula weight	57180.2

*Water molecules are not included.