5NDC

Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography

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	63540.1	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 IIA	polymer	34	3769.6	1	UniProt (A0A1J1EEV7) Pfam (PF08113) UniProt (by SIFTS) (P82543) In PDB	Thermus thermophilus	Cytchrome c oxidase subunit 3
4	A	COPPER (II) ION	non-polymer		63.5	1	Chemie (CU)
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, B, C	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	15	Chemie (OLC)
8	B	DINUCLEAR COPPER ION	non-polymer		127.1	1	Chemie (CUA)
9		water	water		18.0	92	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.