8YU5

The structure of non-activated thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q)

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	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	A, B	COPPER (II) ION	non-polymer		63.5	5	Chemie (CU)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	1044	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	13
	Total formula weight	831.7
All*	Total formula weight	108998.3

*Water molecules are not included.