3OM3

Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation in the reduced state

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, aa3 type, subunit I	polymer	535	59542.4	2	UniProt (Q3J5A7) Pfam (PF00115)	Rhodobacter sphaeroides 2.4.1
2	B, D (B, D)	Cytochrome c oxidase subunit 2	polymer	256	28617.6	2	UniProt (Q3J5G0) Pfam (PF02790) Pfam (PF00116)	Rhodobacter sphaeroides 2.4.1
3	AA, BA, CA, E, F... (C, A, D, B)	DECYL-BETA-D-MALTOPYRANOSIDE	non-polymer		482.6	11	Chemie (DMU)
4	FA, G, GA, H, I... (C, A, D, B)	TRIDECANE	non-polymer		184.4	9	Chemie (TRD)
5	DA, EA, J, K (C, A)	HEME-A	non-polymer		852.8	4	Chemie (HEA)
6	HA, N, NA, OA, W... (C, A, D, B)	COPPER (I) ION	non-polymer		63.5	6	Chemie (CU1)
7	IA, O (C, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
8	JA, P (C, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	V (B)	(2S,3R)-heptane-1,2,3-triol	non-polymer		148.2	1	Chemie (HTH)
10	PA, QA, Y, Z (D, B)	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
11	RA, SA, TA, UA (A, B, C, D)	water	water		18.0	282	Chemie (HOH)

Sequence modifications

A, C: 17 - 551 (UniProt: Q3J5A7)

PDB	External Database	Details
Met 362	Lys 362	engineered mutation

B, D: 30 - 281 (UniProt: Q3J5G0)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	176320.0
Non-Polymers*	Number of molecules	39
	Total formula weight	11486.7
All*	Total formula weight	187806.7

*Water molecules are not included.