3S8G

1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cytochrome c oxidase subunit 1	polymer	569	63616.2	1	UniProt (Q5SJ79) Pfam (PF00115) In PDB	Thermus thermophilus	Cytochrome c ba(3) subunit I, Cytochrome c oxidase polypeptide I, Cytochrome cba3 subunit 1
2	B	Cytochrome c oxidase subunit 2	polymer	168	18581.3	1	UniProt (Q5SJ80) Pfam (PF09125) Pfam (PF00116) In PDB	Thermus thermophilus	Cytochrome c ba(3) subunit II, Cytochrome c oxidase polypeptide II, Cytochrome cba3 subunit 2
3	C	Cytochrome c oxidase polypeptide 2A	polymer	34	3769.6	1	UniProt (P82543) Pfam (PF08113) In PDB	Thermus thermophilus	Cytochrome c ba(3) subunit IIA, Cytochrome c oxidase polypeptide IIA, Cytochrome cba3 subunit 2A
4	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
5	A	HEME-AS	non-polymer		921.0	1	Chemie (HAS)
6	A	COPPER (II) ION	non-polymer		63.5	1	Chemie (CU)
7	A	PEROXIDE ION	non-polymer		32.0	1	Chemie (PER)
8	B, C, A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	20	Chemie (OLC)
9	B	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)
10		water	water		18.0	225	Chemie (HOH)

Sequence modifications

A: 2 - 562 (UniProt: Q5SJ79)

PDB	External Database	Details
Met -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Phe 120	Ala 120	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	85967.1
Non-Polymers*	Number of molecules	25
	Total formula weight	8890.9
All*	Total formula weight	94858.0

*Water molecules are not included.