2QPE

An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus

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	568	63430.0	1	UniProt (Q5SJ79) Pfam (PF00115) In PDB	Thermus thermophilus	Cytochrome c oxidase polypeptide I, Cytochrome c ba3, subunit I, Cytochrome cba3 subunit 1
2	B	Cytochrome c oxidase subunit 2	polymer	168	18580.3	1	UniProt (Q5SJ80) Pfam (PF09125) Pfam (PF00116) In PDB	Thermus thermophilus	Cytochrome c oxidase polypeptide II, Cytochrome c ba3, subunit 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 oxidase polypeptide IIA, Cytochrome c ba3, subunit IIA, Cytochrome cba3 subunit 2A
4	A	COPPER (I) ION	non-polymer		63.5	1	Chemie (CU1)
5	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
6	A	HEME-AS	non-polymer		921.0	1	Chemie (HAS)
7	B	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)

Sequence modifications

A: 2 - 562 (UniProt: Q5SJ79)

PDB	External Database	Details
Met -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
Arg 258	Lys 258	engineered mutation

B: 1 - 168 (UniProt: Q5SJ80)

PDB	External Database	Details
Gln 4	Glu 4	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	85779.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1728.1
All*	Total formula weight	87508.0

*Water molecules are not included.