8X9E

Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carbon monoxide dehydrogenase 2	polymer	656	69062.8	1	UniProt (Q9F8A8) Pfam (PF03063) In PDB	Carboxydothermus hydrogenoformans Z-2901	CODH 2
2	A	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
3	A	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	1	Chemie (FES)
4	A	FE(4)-NI(1)-S(4) CLUSTER	non-polymer		410.3	1	Chemie (XCC)
5	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7		water	water		18.0	119	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
Gly 57	Arg 57	engineered mutation
Leu 59	Asn 59	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	69062.8
Non-Polymers*	Number of molecules	5
	Total formula weight	1055.7
All*	Total formula weight	70118.5

*Water molecules are not included.