3EH4

Structure of the reduced form 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 (A)	Cytochrome c oxidase subunit 1	polymer	618	68987.5	1	UniProt (Q5SJ79) Pfam (PF00115)	Thermus thermophilus	Cytochrome c oxidase polypeptide I, Cytochrome c ba(3) subunit I, Cytochrome cba3 subunit 1
2	B (B)	Cytochrome c oxidase subunit 2	polymer	166	18350.0	1	UniProt (Q5SJ80) Pfam (PF09125) Pfam (PF00116)	Thermus thermophilus	Cytochrome c oxidase polypeptide II, Cytochrome c ba(3) subunit II, Cytochrome cba3 subunit 2
3	C (C)	Cytochrome c oxidase polypeptide 2A	polymer	33	3638.4	1	UniProt (P82543) Pfam (PF08113)	Thermus thermophilus	Cytochrome c oxidase polypeptide IIA, Cytochrome c ba(3) subunit IIA, Cytochrome cba3 subunit 2A
4	D (A)	COPPER (I) ION	non-polymer		63.5	1	Chemie (CU1)
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 (B)	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)
8	H (C)	nonyl beta-D-glucopyranoside	non-polymer		306.4	1	Chemie (BNG)
9	I, J, K (A, B, C)	water	water		18.0	45	Chemie (HOH)

Sequence modifications

A: 2 - 562 (UniProt: Q5SJ79)

PDB	External Database	Details
Ser -55	-	expression tag
Glu -54	-	expression tag
Ile -53	-	expression tag
Ser -52	-	expression tag
Arg -51	-	expression tag
Val -50	-	expression tag
Tyr -49	-	expression tag
Glu -48	-	expression tag
Ala -47	-	expression tag
Tyr -46	-	expression tag
Pro -45	-	expression tag
Glu -44	-	expression tag
Lys -43	-	expression tag
Lys -42	-	expression tag
Ala -41	-	expression tag
Thr -40	-	expression tag
Leu -39	-	expression tag
Tyr -38	-	expression tag
Phe -37	-	expression tag
Leu -36	-	expression tag
Val -35	-	expression tag
Leu -34	-	expression tag
Gly -33	-	expression tag
Phe -32	-	expression tag
Leu -31	-	expression tag
Ala -30	-	expression tag
Leu -29	-	expression tag
Ile -28	-	expression tag
Val -27	-	expression tag
Gly -26	-	expression tag
Ser -25	-	expression tag
Leu -24	-	expression tag
Phe -23	-	expression tag
Gly -22	-	expression tag
Pro -21	-	expression tag
Phe -20	-	expression tag
Gln -19	-	expression tag
Ala -18	-	expression tag
Leu -17	-	expression tag
Asn -16	-	expression tag
Tyr -15	-	expression tag
Gly -14	-	expression tag
Asn -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Ala -10	-	expression tag
Tyr -9	-	expression tag
Pro -8	-	expression tag
Leu -7	-	expression tag
Leu -6	-	expression tag
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: 3 - 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	90975.9
Non-Polymers*	Number of molecules	5
	Total formula weight	2034.5
All*	Total formula weight	93010.3

*Water molecules are not included.