3FYI

Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides in the reduced state bound with cyanide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Cytochrome c oxidase subunit 1	polymer	566	63195.4	2	UniProt (P33517) Pfam (PF00115)	Rhodobacter sphaeroides (Rhodopseudomonas sphaeroides)	Cytochrome c oxidase polypeptide I, Cytochrome aa3 subunit 1
2	B, D (B, D)	Cytochrome c oxidase subunit 2	polymer	262	29365.4	2	UniProt (Q03736) Pfam (PF02790) Pfam (PF00116)	Rhodobacter sphaeroides (Rhodopseudomonas sphaeroides)	Cytochrome c oxidase polypeptide II, Cytochrome aa3 subunit 2, Oxidase aa(3) subunit 2
3	BA, CA, E, F (C, A)	HEME-A	non-polymer		852.8	4	Chemie (HEA)
4	DA, G, NA, OA, V... (C, A, D, B)	COPPER (I) ION	non-polymer		63.5	6	Chemie (CU1)
5	EA, H (C, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	FA, I (C, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
7	GA, J (C, A)	CYANIDE ION	non-polymer		26.0	2	Chemie (CYN)
8	AA, IA, JA, K, L... (B, C, A, D)	DECYL-BETA-D-MALTOPYRANOSIDE	non-polymer		482.6	10	Chemie (DMU)
9	HA, KA, LA, MA, O... (C, A, D)	TRIDECANE	non-polymer		184.4	12	Chemie (TRD)
10	U (B)	HEPTANE-1,2,3-TRIOL	non-polymer		148.2	1	Chemie (HTO)
11	PA, QA, X, Y (D, B)	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
12	VA, WA, XA, YA (A, B, C, D)	water	water		18.0	470	Chemie (HOH)

Sequence modifications

B, D: 26 - 281 (UniProt: Q03736)

PDB	External Database	Details
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	185121.5
Non-Polymers*	Number of molecules	43
	Total formula weight	11609.2
All*	Total formula weight	196730.8

*Water molecules are not included.