8KHQ

Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine

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)	5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase	polymer	728	85179.5	4	UniProt (A0A1I5R890) Pfam (PF12867) Pfam (PF03781) Pfam (PF13489)	Hydrogenimonas thermophila
2	E, H, L, P (A, B, C, D)	COBALT (II) ION	non-polymer		58.9	4	Chemie (CO)
3	F, I, M, Q (A, B, C, D)	HISTIDINE	non-polymer		156.2	4	Chemie (HIS)
4	G, J, N, R (A, B, C, D)	CYSTEINE	non-polymer		121.2	4	Chemie (CYS)
5	K, O (B, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	S, T, U, V (A, B, C, D)	water	water		18.0	147	Chemie (HOH)

Sequence modifications

A, B, C, D: 9 - 707 (UniProt: A0A1I5R890)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Asp 3	-	expression tag
Arg 4	-	expression tag
Gly 5	-	expression tag
Pro 6	-	expression tag
Glu 7	-	expression tag
Phe 8	-	expression tag
Leu 708	-	expression tag
Glu 709	-	expression tag
Val 710	-	expression tag
Asp 711	-	expression tag
Leu 712	-	expression tag
Gln 713	-	expression tag
Gly 714	-	expression tag
Asp 715	-	expression tag
His 716	-	expression tag
Gly 717	-	expression tag
Leu 718	-	expression tag
Ser 719	-	expression tag
Ala 720	-	expression tag
Trp 721	-	expression tag
Ser 722	-	expression tag
His 723	-	expression tag
Pro 724	-	expression tag
Gln 725	-	expression tag
Phe 726	-	expression tag
Glu 727	-	expression tag
Lys 728	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	340718.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1557.3
All*	Total formula weight	342275.2

*Water molecules are not included.