9G7I

Structure of carbon monoxide dehydrogenase/acetyl-CoA synthase (CODH/ACS) in complex with acetyl-Coenyzme A from Clostridium autoethanogenum

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	CO-methylating acetyl-CoA synthase	polymer	708	76991.1	2	UniProt (F8TEQ9) Pfam (PF18537) Pfam (PF03598) Pfam (PF19436)	Clostridium autoethanogenum DSM 10061	Carbon monoxide dehydrogenase/acetyl-CoA synthase complex, alpha subunit
2	B, C (B, C)	Carbon monoxide dehydrogenase	polymer	631	67977.5	2	Pfam (PF03063) UniProt (by SIFTS) (F8TEP6)	Clostridium autoethanogenum DSM 10061
3	AB, BB, E, OB, Z (C, A, D, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	5	Chemie (SF4)
4	F, G, PB, QB (A, D)	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
5	AC, CB, H, IB, J... (D, C, A, B)	1,2-ETHANEDIOL	non-polymer		62.1	34	Chemie (EDO)
6	I (A)	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		354.4	1	Chemie (PE4)
7	BA, DA, EA, K, TB... (B, A, D)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
8	AA, L, RB (B, A, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
9	EB, FA, FB, GB, M... (C, B, A, D)	CALCIUM ION	non-polymer		40.1	10	Chemie (CA)
10	GA, HA, HB, IA, JA... (B, C, A)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
11	CA, DB (B, C)	FE(4)-NI(1)-S(4) CLUSTER	non-polymer		410.3	2	Chemie (XCC)
12	SB (D)	ACETYL COENZYME *A	non-polymer		809.6	1	Chemie (ACO)
13	UB (D)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
14	BC, CC, DC, EC (A, B, C, D)	water	water		18.0	14	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	289937.2
Non-Polymers*	Number of molecules	75
	Total formula weight	7765.4
All*	Total formula weight	297702.6

*Water molecules are not included.