3B51

Ni,Fe-CODH-600 mV state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (X)	Carbon monoxide dehydrogenase 2	polymer	656	69191.9	1	UniProt (Q9F8A8) Pfam (PF03063)	Carboxydothermus hydrogenoformans Z-2901	CODH 2
2	B (X)	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
3	C (X)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	1	Chemie (FES)
4	D (X)	FE(3)-NI(1)-S(4) CLUSTER	non-polymer		354.5	1	Chemie (WCC)
5	E (X)	FE (II) ION	non-polymer		55.8	1	Chemie (FE2)
6	F (X)	water	water		18.0	884	Chemie (HOH)

Sequence modifications

X: 4 - 636 (UniProt: Q9F8A8)

PDB	External Database	Details
Met -19	-	expression tag
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
Met 1	-	expression tag
Ala 2	-	expression tag
Arg 3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	69191.9
Non-Polymers*	Number of molecules	4
	Total formula weight	937.8
All*	Total formula weight	70129.7

*Water molecules are not included.