8OVC

Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	O, C	Cytochrome bc1 complex cytochrome c subunit	polymer	278	29109.9	2	UniProt (A0R050) Pfam (PF00034) Pfam (PF13442) In PDB	Mycolicibacterium smegmatis
2	M, G	Cytochrome bc1 complex cytochrome c subunit	polymer	408	44869.4	2	UniProt (A0R051) Pfam (PF19297) Pfam (PF00355) In PDB	Mycolicibacterium smegmatis
3	N, H	Cytochrome bc1 complex cytochrome b subunit	polymer	556	61514.3	2	UniProt (A0R052) Pfam (PF13631) In PDB	Mycolicibacterium smegmatis	Cytochrome bc1 reductase complex subunit QcrB
4	P, I	Transmembrane protein	polymer	100	11329.9	2	UniProt (A0QVH4) Pfam (PF10939) In PDB	Mycolicibacterium smegmatis
5	S, J	Probable cytochrome c oxidase subunit 3	polymer	203	22196.9	2	UniProt (A0R049) Pfam (PF00510) In PDB	Mycolicibacterium smegmatis	Cytochrome aa3 subunit 3
6	T, K	Cytochrome c oxidase polypeptide 4	polymer	139	15177.4	2	UniProt (A0R056) Pfam (PF12270) In PDB	Mycolicibacterium smegmatis	Cytochrome aa3 subunit 4,Cytochrome c oxidase polypeptide IV
7	R, L	Cytochrome c oxidase subunit 1	polymer	575	64163.0	2	UniProt (A0A2U9PNL2) Pfam (PF00115) In PDB	Mycolicibacterium smegmatis
8	Q, X	cytochrome-c oxidase	polymer	341	38077.5	2	UniProt (A0R057) Pfam (PF00116) In PDB	Mycolicibacterium smegmatis	Cytochrome aa3 subunit 2
9	U, Z	Cytochrome c oxidase subunit	polymer	79	8365.5	2	UniProt (A0R1B6) In PDB	Mycolicibacterium smegmatis
10	V, a	Uncharacterized protein MSMEG_4692/MSMEI_4575	polymer	157	15911.0	2	UniProt (A0R1B5) Pfam (PF17174) In PDB	Mycolicibacterium smegmatis
11	W, b	LpqE protein	polymer	186	19119.0	2	UniProt (A0R562) In PDB	Mycolicibacterium smegmatis
12	Y, c	Superoxide dismutase [Cu-Zn]	polymer	236	23232.4	2	UniProt (A0QQQ1) Pfam (PF00080) In PDB	Mycolicibacterium smegmatis
13	E, f	Co-purified unknown peptide	polymer	10	869.1	2		Mycolicibacterium smegmatis
14	F, e	Co-purified unknown peptide	polymer	25	2145.6	2		Mycolicibacterium smegmatis
15	O, C	HEME C	non-polymer		618.5	4	Chemie (HEC)
16	O, N, C, G, H	MENAQUINONE-9	non-polymer		785.2	10	Chemie (MQ9)
17	W, I, O, C	acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2)	non-polymer		1415.8	4	Chemie (WUO)
18	M, G	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
19	W, M, G, b	(2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate	non-polymer		853.1	4	Chemie (9YF)
20	N, H	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
21	H, I, L, N, P...	CARDIOLIPIN	non-polymer		1464.0	16	Chemie (CDL)
22	J, S	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate	non-polymer		564.7	3	Chemie (7PH)
23	L, R	HEME-A	non-polymer		852.8	4	Chemie (HEA)
24	Q, L, X, R	COPPER (II) ION	non-polymer		63.5	6	Chemie (CU)
25	L, R	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
26	L, R	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
27	R, H, Y, b	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate	non-polymer		595.0	4	Chemie (9XX)
28	W, Y, L, c	PALMITIC ACID	non-polymer		256.4	4	Chemie (PLM)
29		water	water		18.0	249	Chemie (HOH)

Sequence modifications

O, C: 27 - 294 (UniProt: A0R050)

PDB	External Database	Details
Met 17	-	initiating methionine
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
Met 24	-	expression tag
Gly 25	-	expression tag
Ser 26	-	expression tag

N, H: 1 - 546 (UniProt: A0R052)

PDB	External Database	Details
Lys 547	-	expression tag
Leu 548	-	expression tag
Asp 549	-	expression tag
Tyr 550	-	expression tag
Lys 551	-	expression tag
Asp 552	-	expression tag
Asp 553	-	expression tag
Asp 554	-	expression tag
Asp 555	-	expression tag
Lys 556	-	expression tag

P, I: 18 - 100 (UniProt: A0QVH4)

PDB	External Database	Details
Met 1	-	initiating methionine
Ser 2	-	expression tag
Ser 3	-	expression tag
Thr 4	-	expression tag
Gln 5	-	expression tag
Asp 6	-	expression tag
Arg 7	-	expression tag
Ser 8	-	expression tag
Gln 9	-	expression tag
Leu 10	-	expression tag
Asp 11	-	expression tag
Pro 12	-	expression tag
Glu 13	-	expression tag
Glu 14	-	expression tag
Gln 15	-	expression tag
Pro 16	-	expression tag
Val 17	-	expression tag

R, L: 21 - 575 (UniProt: A0A2U9PNL2)

PDB	External Database	Details
Met 1	-	initiating methionine
Val 2	-	expression tag
Ala 3	-	expression tag
Glu 4	-	expression tag
Ala 5	-	expression tag
Pro 6	-	expression tag
Pro 7	-	expression tag
Ile 8	-	expression tag
Gly 9	-	expression tag
Glu 10	-	expression tag
Leu 11	-	expression tag
Glu 12	-	expression tag
Ala 13	-	expression tag
Arg 14	-	expression tag
Arg 15	-	expression tag
Pro 16	-	expression tag
Phe 17	-	expression tag
Pro 18	-	expression tag
Glu 19	-	expression tag
Arg 20	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	28
	Total formula weight	712161.7
Non-Polymers*	Number of molecules	69
	Total formula weight	54665.5
All*	Total formula weight	766827.2

*Water molecules are not included.