6DC2

Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase C301S variant

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)	Carbon monoxide dehydrogenase	polymer	637	67699.8	4	UniProt (Q72A99) Pfam (PF03063)	Desulfovibrio vulgaris
2	E, K, P, X (A, B, C, D)	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
3	F, Q (A, C)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
4	G, L, R, Y (A, B, C, D)	FE(4)-NI(1)-S(4) CLUSTER	non-polymer		410.3	4	Chemie (XCC)
5	H, M, S, Z (A, B, C, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
6	AA, I, J, O, W (D, A, B, C)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
7	N, T, U, V (B, C)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
8	BA, CA, DA, EA (A, B, C, D)	water	water		18.0	1546	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 629 (UniProt: Q72A99)

PDB	External Database	Details
Met -7	-	expression tag
Trp -6	-	expression tag
Ser -5	-	expression tag
His -4	-	expression tag
Pro -3	-	expression tag
Ala -2	-	expression tag
Val -1	-	expression tag
Arg 0	-	expression tag
Lys 1	-	expression tag
Ser 301	Cys 301	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	270799.3
Non-Polymers*	Number of molecules	23
	Total formula weight	4112.8
All*	Total formula weight	274912.2

*Water molecules are not included.