3OMN

Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A 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	59496.3	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	CA, E (C, A)	HYDROXIDE ION	non-polymer		17.0	2	Chemie (OH)
4	DA, EA, F, FA, G... (C, A, D, B)	DECYL-BETA-D-MALTOPYRANOSIDE	non-polymer		482.6	11	Chemie (DMU)
5	H, I, IA, L, M... (A, C, D, B)	TRIDECANE	non-polymer		184.4	9	Chemie (TRD)
6	GA, HA, J, K (C, A)	HEME-A	non-polymer		852.8	4	Chemie (HEA)
7	JA, O, RA, SA, Y... (C, A, D, B)	COPPER (I) ION	non-polymer		63.5	6	Chemie (CU1)
8	KA, P (C, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
9	LA, Q (C, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
10	MA, R (C, A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
11	X (B)	(2S,3R)-heptane-1,2,3-triol	non-polymer		148.2	1	Chemie (HTH)
12	AA, BA, TA, UA (B, D)	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
13	VA, WA, XA, YA (A, B, C, D)	water	water		18.0	460	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 132	Asp 132	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	176228.0
Non-Polymers*	Number of molecules	43
	Total formula weight	11591.6
All*	Total formula weight	187819.5

*Water molecules are not included.