4GP8

Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus

Replaces:  4ESL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cytochrome c oxidase subunit 1	polymer	568	63471.1	1	UniProt (Q5SJ79) Pfam (PF00115)	Thermus thermophilus	Cytochrome c ba(3) subunit I, Cytochrome c oxidase polypeptide I, Cytochrome cba3 subunit 1
2	B (B)	Cytochrome c oxidase subunit 2	polymer	168	18581.3	1	UniProt (Q5SJ80) Pfam (PF09125) Pfam (PF00116)	Thermus thermophilus	Cytochrome c ba(3) subunit II, Cytochrome c oxidase polypeptide II, Cytochrome cba3 subunit 2
3	C (C)	Cytochrome c oxidase polypeptide 2A	polymer	34	3769.6	1	UniProt (P82543) Pfam (PF08113)	Thermus thermophilus	Cytochrome c ba(3) subunit IIA, Cytochrome c oxidase polypeptide IIA, Cytochrome cba3 subunit 2A
4	D (A)	COPPER (II) ION	non-polymer		63.5	1	Chemie (CU)
5	E (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
6	F (A)	HEME-AS	non-polymer		921.0	1	Chemie (HAS)
7	G (A)	PEROXIDE ION	non-polymer		32.0	1	Chemie (PER)
8	H, I, J, K, L... (A, B, C)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	16	Chemie (OLC)
9	U (B)	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)
10	Y, Z (A, B)	water	water		18.0	77	Chemie (HOH)

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
Trp 133	Tyr 133	engineered mutation
Phe 231	Thr 231	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	85822.0
Non-Polymers*	Number of molecules	21
	Total formula weight	7464.7
All*	Total formula weight	93286.7

*Water molecules are not included.