8HP6

Crystal structure of (S)-2-haloacid dehalogenase D12A mutant

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	(S)-2-haloacid dehalogenase	polymer	289	32915.8	3	UniProt (A0A0S6WSA3) Pfam (PF00702) In PDB	Novosphingobium sp. MBES04
2	A, B, C	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
3		water	water		18.0	662	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 242 (UniProt: A0A0S6WSA3)

PDB	External Database	Details
Met -33	-	initiating methionine
Gly -32	-	expression tag
Ser -31	-	expression tag
Ser -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
Gly -21	-	expression tag
Leu -20	-	expression tag
Val -19	-	expression tag
Pro -18	-	expression tag
Arg -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 12	Asp 12	engineered mutation
Lys 243	-	expression tag
Leu 244	-	expression tag
Ala 245	-	expression tag
Ala 246	-	expression tag
Ala 247	-	expression tag
Leu 248	-	expression tag
Glu 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	98747.4
Non-Polymers*	Number of molecules	3
	Total formula weight	69.0
All*	Total formula weight	98816.4

*Water molecules are not included.