9L8X

The crystal structure of Halogenases XhnO11 complex with vanadate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Vanadium-dependent haloperoxidase	polymer	528	58095.7	2	UniProt (A0A420V7T7) Pfam (PF21167) Pfam (PF22778)	Streptomyces xinghaiensis
2	C, E (B, A)	VANADATE ION	non-polymer		114.9	2	Chemie (VO4)
3	D (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F, G (B, A)	water	water		18.0	370	Chemie (HOH)

Sequence modifications

B, A: 1 - 507 (UniProt: A0A420V7T7)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Gly -5	-	expression tag
Arg -4	-	expression tag
Pro -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Val 78	Ile 78	conflict
Lys 254	Glu 254	conflict
Lys 262	Glu 262	conflict
Glu 285	Asp 285	conflict
Lys 377	Arg 377	conflict
Arg 423	Lys 423	conflict
Lys 463	Arg 463	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116191.5
Non-Polymers*	Number of molecules	3
	Total formula weight	265.3
All*	Total formula weight	116456.8

*Water molecules are not included.