8XXB

Crystal Structure of a triple-mutant (A69F/M124P/R127G) of halohydrin dehalogenase HheD8 complexed with chloride

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Short-chain dehydrogenase/reductase SDR	polymer	233	24723.4	1	UniProt (N6YXW4) Pfam (PF13561) In PDB	Thauera aminoaromatica S2	halohydrin dehalogenase hhd8
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3		water	water		18.0	39	Chemie (HOH)

Sequence modifications

A: 2 - 227 (UniProt: N6YXW4)

PDB	External Database	Details
Met -5	-	initiating methionine
Ala -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Phe 69	Ala 69	engineered mutation
Pro 124	Met 124	engineered mutation
Gly 127	Arg 127	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24723.4
Non-Polymers*	Number of molecules	1
	Total formula weight	35.5
All*	Total formula weight	24758.8

*Water molecules are not included.