8Q22

Crystal structure of Vanadium-dependent haloperoxidase R425S mutant in complex with 1,3,5-trimethoxybenzene (A. marina)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Vanadium-dependent bromoperoxidase, putative	polymer	666	73040.5	1	UniProt (B0C4R0) In PDB	Acaryochloris marina
2	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	A	1,3,5-trimethoxybenzene	non-polymer		168.2	1	Chemie (ILW)
4	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)

Sequence modifications

A: 1 - 639 (UniProt: B0C4R0)

PDB	External Database	Details
Met -26	-	initiating methionine
Gly -25	-	expression tag
Ser -24	-	expression tag
Ser -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Leu -11	-	expression tag
Glu -10	-	expression tag
Val -9	-	expression tag
Leu -8	-	expression tag
Phe -7	-	expression tag
Gln -6	-	expression tag
Gly -5	-	expression tag
Pro -4	-	expression tag
Leu -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 425	Arg 425	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	73040.5
Non-Polymers*	Number of molecules	4
	Total formula weight	309.1
All*	Total formula weight	73349.7

*Water molecules are not included.