8WBS

Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L]-D48N complexed with sulfate ions

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)	(S)-2-haloacid dehalogenase	polymer	243	27410.1	4	UniProt (W8PFD2)	Klebsiella sp. BK-58
2	E, F, H, I, J... (A, B, C, D)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
3	G, L (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	O, P, Q, R (A, B, C, D)	water	water		18.0	357	Chemie (HOH)

Sequence modifications

A, B, C, D: 41 - 274 (UniProt: W8PFD2)

PDB	External Database	Details
Met 40	-	initiating methionine
Asn 48	Asp 48	engineered mutation
Leu 275	-	expression tag
Glu 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109640.4
Non-Polymers*	Number of molecules	10
	Total formula weight	848.7
All*	Total formula weight	110489.1

*Water molecules are not included.