3DTU

Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Cytochrome c oxidase subunit 1	polymer	566	63195.4	2	UniProt (P33517) Pfam (PF00115) In PDB	Rhodobacter sphaeroides (Rhodopseudomonas sphaeroides)	Cytochrome c oxidase polypeptide I, Cytochrome aa3 subunit 1
2	B, D	Cytochrome c oxidase subunit 2	polymer	262	29365.4	2	UniProt (Q03736) Pfam (PF02790) Pfam (PF00116) In PDB	Rhodobacter sphaeroides (Rhodopseudomonas sphaeroides)	Cytochrome c oxidase polypeptide II, Cytochrome aa3 subunit 2, Oxidase aa(3) subunit 2
3	D, A, C, B	DECYL-BETA-D-MALTOPYRANOSIDE	non-polymer		482.6	9	Chemie (DMU)
4	B, D, A, C	COPPER (II) ION	non-polymer		63.5	6	Chemie (CU)
5	A, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	A, C	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
7	A, C	HYDROXIDE ION	non-polymer		17.0	2	Chemie (OH)
8	A, C	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
9	A, C	HEME-A	non-polymer		852.8	4	Chemie (HEA)
10	B, D, A, C	TRIDECANE	non-polymer		184.4	23	Chemie (TRD)
11	B, D	CADMIUM ION	non-polymer		112.4	5	Chemie (CD)
12	B	HEPTANE-1,2,3-TRIOL	non-polymer		148.2	1	Chemie (HTO)
13	C	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID	non-polymer		392.6	1	Chemie (DXC)
14		water	water		18.0	636	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	57
	Total formula weight	13831.5
All*	Total formula weight	198953.1

*Water molecules are not included.