4G71

Structure of Recombinant Cytochrome ba3 Oxidase mutant V236N 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	569	63631.2	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	CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER	non-polymer		306.7	1	Chemie (CUB)
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	A	PEROXIDE ION	non-polymer		32.0	1	Chemie (PER)
8	A, B, C	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	16	Chemie (OLC)
9	B	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)
10		water	water		18.0	64	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	engineered mutation
Asn 236	Val 236	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	85982.1
Non-Polymers*	Number of molecules	21
	Total formula weight	7707.9
All*	Total formula weight	93690.0

*Water molecules are not included.