8X9H

Crystal structure of CO dehydrogenase mutant (F41C)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Carbon monoxide dehydrogenase 2	polymer	656	69119.8	1	UniProt (Q9F8A8) Pfam (PF03063)	Carboxydothermus hydrogenoformans Z-2901	CODH 2
2	B (A)	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
3	C (A)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	1	Chemie (FES)
4	D (A)	FE(4)-NI(1)-S(4) CLUSTER	non-polymer		410.3	1	Chemie (XCC)
5	E (A)	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	F (A)	water	water		18.0	354	Chemie (HOH)

Sequence modifications

A: 1 - 636 (UniProt: Q9F8A8)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Cys 41	Phe 41	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	69119.8
Non-Polymers*	Number of molecules	4
	Total formula weight	993.6
All*	Total formula weight	70113.5

*Water molecules are not included.