8YU6

The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Twin-arginine translocation signal domain-containing protein	polymer	489	54083.3	2	UniProt (A0A5C7ETD9) In PDB	Pelomicrobium methylotrophicum
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
3	A, B	COPPER (II) ION	non-polymer		63.5	7	Chemie (CU)
4	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	992	Chemie (HOH)

Sequence modifications

A, B: 46 - 513 (UniProt: A0A5C7ETD9)

PDB	External Database	Details
Met 25	-	initiating methionine
Gly 26	-	expression tag
Ser 27	-	expression tag
Asp 28	-	expression tag
Lys 29	-	expression tag
Ile 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
Glu 37	-	expression tag
Asn 38	-	expression tag
Leu 39	-	expression tag
Tyr 40	-	expression tag
Phe 41	-	expression tag
Gln 42	-	expression tag
Gly 43	-	expression tag
His 44	-	expression tag
Met 45	-	expression tag
Gln 447	His 447	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	108166.6
Non-Polymers*	Number of molecules	12
	Total formula weight	728.5
All*	Total formula weight	108895.1

*Water molecules are not included.