8HUA

Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell

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	569	63540.1	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 HB8	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 HB8	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, H, I, J, K... (A, B, C)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	15	Chemie (OLC)
8	R (B)	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)
9	W, X, Y (A, B, C)	water	water		18.0	104	Chemie (HOH)

Sequence modifications

A: 2 - 562 (UniProt: Q5SJ79)

PDB	External Database	Details
Met -6	-	initiating methionine
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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	85891.0
Non-Polymers*	Number of molecules	19
	Total formula weight	7076.2
All*	Total formula weight	92967.2

*Water molecules are not included.