8WBT

Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L] mutant D48N complexed with L-TA

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, J, M, O (A, B, C, D)	L(+)-TARTARIC ACID	non-polymer		150.1	4	Chemie (TLA)
3	F, G, H, K, L (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4	I, N (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	P, Q, R, S (A, B, C, D)	water	water		18.0	604	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	11
	Total formula weight	1141.0
All*	Total formula weight	110781.4

*Water molecules are not included.