8CJC

F515A variant of the CODH/ACS complex of C. hydrogenoformans

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	polymer	676	74125.2	1	UniProt (A0A1L8D0M5) Pfam (PF03063) In PDB	Carboxydothermus hydrogenoformans Z-2901
2	B	CO-methylating acetyl-CoA synthase	polymer	730	82035.1	1	UniProt (Q3ACS4) Pfam (PF18537) Pfam (PF03598) Pfam (PF19436) In PDB	Carboxydothermus hydrogenoformans Z-2901
3	A	Fe(3)-Ni(1)-S(4) cluster	non-polymer		410.3	1	Chemie (RQM)
4	A, B	IRON/SULFUR CLUSTER	non-polymer		351.6	3	Chemie (SF4)
5	A	HYDROXIDE ION	non-polymer		17.0	2	Chemie (OH)
6	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
7	B	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
8	B	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
9	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
10		water	water		18.0	939	Chemie (HOH)

Sequence modifications

A: 2 - 670 (UniProt: A0A1L8D0M5)

PDB	External Database	Details
Ile -5	-	expression tag
Asn -4	-	expression tag
Met -3	-	expression tag
Pyl -2	-	expression tag
Asp -1	-	expression tag
Glu 0	-	expression tag
Leu 1	-	expression tag
Asp 17	Glu 17	conflict
Ile 29	Thr 29	conflict
Gln 73	Met 73	conflict
Ala 120	Thr 120	conflict
Thr 153	Ile 153	conflict
Met 159	Leu 159	conflict
Glu 199	Asp 199	conflict
Ser 205	Ala 205	conflict
Ile 220	Met 220	conflict
Ile 389	Val 389	conflict
Leu 393	Phe 393	conflict
Thr 494	Ala 494	conflict
Thr 602	Ser 602	conflict

B: 5 - 732 (UniProt: Q3ACS4)

PDB	External Database	Details
Ala 515	Phe 515	engineered mutation
Arg 733	-	expression tag
Ser 734	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	156160.3
Non-Polymers*	Number of molecules	13
	Total formula weight	2053.2
All*	Total formula weight	158213.5

*Water molecules are not included.