8OVD

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	A, M (O, C)	Cytochrome bc1 complex cytochrome c subunit	polymer	278	29109.9	2	UniProt (A0R050) Pfam (PF00034) Pfam (PF13442)	Mycolicibacterium smegmatis
2	B, N (M, G)	Cytochrome bc1 complex cytochrome c subunit	polymer	408	44869.4	2	UniProt (A0R051) Pfam (PF19297) Pfam (PF00355)	Mycolicibacterium smegmatis
3	C, O (N, H)	Cytochrome bc1 complex cytochrome b subunit	polymer	556	61514.3	2	UniProt (A0R052) Pfam (PF13631)	Mycolicibacterium smegmatis	Cytochrome bc1 reductase complex subunit QcrB
4	D, P (P, I)	Transmembrane protein	polymer	100	11329.9	2	Pfam (PF10939) UniProt (by SIFTS) (A0QVH4)	Mycolicibacterium smegmatis
5	E, Q (S, J)	Probable cytochrome c oxidase subunit 3	polymer	203	22196.9	2	UniProt (A0R049) Pfam (PF00510)	Mycolicibacterium smegmatis	Cytochrome aa3 subunit 3
6	F, R (T, K)	Cytochrome c oxidase polypeptide 4	polymer	139	15177.4	2	UniProt (A0R056) Pfam (PF12270)	Mycolicibacterium smegmatis	Cytochrome aa3 subunit 4,Cytochrome c oxidase polypeptide IV
7	G, S (R, L)	Cytochrome c oxidase subunit 1	polymer	575	64163.0	2		Mycolicibacterium smegmatis
8	H, T (Q, X)	cytochrome-c oxidase	polymer	341	38077.5	2	UniProt (A0R057) Pfam (PF00116)	Mycolicibacterium smegmatis	Cytochrome aa3 subunit 2
9	I, U (U, Z)	Cytochrome c oxidase subunit	polymer	79	8365.5	2	UniProt (A0R1B6)	Mycolicibacterium smegmatis
10	J, V (V, a)	Uncharacterized protein MSMEG_4692/MSMEI_4575	polymer	157	15911.0	2	UniProt (A0R1B5) Pfam (PF17174)	Mycolicibacterium smegmatis
11	K, W (W, b)	LpqE protein	polymer	186	19119.0	2	UniProt (A0R562)	Mycolicibacterium smegmatis
12	L, X (Y, c)	Superoxide dismutase [Cu-Zn]	polymer	236	23232.4	2	UniProt (A0QQQ1) Pfam (PF00080)	Mycolicibacterium smegmatis
13	PB, QB, Y, Z (C, O)	HEME C	non-polymer		618.5	4	Chemie (HEC)
14	AA, EC, FC, GA, HC... (O, H, M, N, K...)	MENAQUINONE-9	non-polymer		785.2	12	Chemie (MQ9)
15	BA, KC, RA, SB (O, I, P, C)	acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2)	non-polymer		1415.8	4	Chemie (WUO)
16	CA, VB (M, G)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
17	DA, WB (M, G)	[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate	non-polymer		1677.8	2	Chemie (IZL)
18	BD, EA, KB, XB (b, M, W, G)	(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)
19	FA, PA, SA, YB, ZB (M, N, S, G, H)	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate	non-polymer		564.7	5	Chemie (7PH)
20	AC, GC, HA, NA (H, N)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
21	BC, CB, CC, DC, IA... (H, R, N, I, J...)	CARDIOLIPIN	non-polymer		1464.0	15	Chemie (CDL)
22	AD, FB, GB, JB, MC... (X, R, Q, J, K...)	TRIDECANE	non-polymer		184.4	10	Chemie (TRD)
23	NC, UA (J, S)	1,2-Distearoyl-sn-glycerophosphoethanolamine	non-polymer		748.1	2	Chemie (3PE)
24	AB, RC, SC, ZA (R, L)	HEME-A	non-polymer		852.8	4	Chemie (HEA)
25	BB, HB, IB, TC, YC... (R, Q, L, X)	COPPER (II) ION	non-polymer		63.5	6	Chemie (CU)
26	DB, UC (R, L)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
27	EB, VC (R, L)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
28	DD, FD, LB, OB (b, c, W, Y)	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate	non-polymer		595.0	4	Chemie (9XX)
29	CD, ED, MB, NB (b, c, W, Y)	PALMITIC ACID	non-polymer		256.4	4	Chemie (PLM)
30	AE, GD, HD, ID, JD... (c, O, M, N, P...)	water	water		18.0	614	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

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	706132.3
Non-Polymers*	Number of molecules	86
	Total formula weight	62596.7
All*	Total formula weight	768729.0

*Water molecules are not included.