7RH7

Mycobacterial CIII2CIV2 supercomplex, Telacebec (Q203) bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	W, c	LpqE protein	polymer	159	16412.9	2	UniProt (I7GFE1) UniProt (by SIFTS) (A0R562) In PDB	Mycolicibacterium smegmatis MC2 155
2	Q, K	Cytochrome aa3 subunit 2	polymer	312	35201.0	2	UniProt (I7GD63) Pfam (PF00116) UniProt (by SIFTS) (A0R057) In PDB	Mycolicibacterium smegmatis MC2 155
3	R, L	Cytochrome c oxidase subunit 1	polymer	552	61733.2	2		Mycolicibacterium smegmatis MC2 155
4	S, X	Cytochrome aa3 subunit 3	polymer	203	22196.9	2	UniProt (A0R049) Pfam (PF00510) In PDB	Mycolicibacterium smegmatis MC2 155	Probable cytochrome c oxidase subunit 3
5	T, Z	Cytochrome c oxidase polypeptide 4	polymer	139	15177.4	2	UniProt (I7FPH7) Pfam (PF12270) UniProt (by SIFTS) (A0R056) In PDB	Mycolicibacterium smegmatis MC2 155	Cytochrome aa3 subunit 4,Cytochrome c oxidase polypeptide IV
6	U, a	Cytochrome c oxidase subunit CtaJ	polymer	79	8365.5	2	UniProt (I7FQK8) UniProt (by SIFTS) (A0R1B6) In PDB	Mycolicibacterium smegmatis MC2 155
7	V, b	Uncharacterized protein MSMEG_4692/MSMEI_4575	polymer	145	14808.7	2	UniProt (A0R1B5) Pfam (PF17174) In PDB	Mycolicibacterium smegmatis MC2 155
8	P, J	Conserved transmembrane protein	polymer	100	11329.9	2	UniProt (A0QVH4) Pfam (PF10939) In PDB	Mycolicibacterium smegmatis MC2 155
9	G, D	Superoxide dismutase [Cu-Zn]	polymer	216	21221.9	2	UniProt (I7G2H6) Pfam (PF00080) UniProt (by SIFTS) (A0QQQ1) In PDB	Mycolicibacterium smegmatis MC2 155
10	O, I	Cytochrome bc1 complex cytochrome c subunit	polymer	223	23184.0	2	UniProt (I7FPH1) Pfam (PF00034) Pfam (PF13442) In PDB	Mycolicibacterium smegmatis MC2 155
11	E, F	Cytochrome bc1 complex cytochrome b subunit	polymer	535	59110.8	2	UniProt (I7FGS8) Pfam (PF13631) UniProt (by SIFTS) (A0R052) In PDB	Mycolicibacterium smegmatis MC2 155	Cytochrome bc1 reductase complex subunit QcrB
12	Y, M	Cytochrome bc1 complex Rieske iron-sulfur subunit	polymer	382	42210.5	2	UniProt (I7GD61) Pfam (PF19297) Pfam (PF00355) In PDB	Mycolicibacterium smegmatis MC2 155	Cytochrome bc1 reductase complex subunit QcrA
13	G, D, c, W	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate	non-polymer		595.0	4	Chemie (9XX)
14	G, D, c, W	PALMITIC ACID	non-polymer		256.4	4	Chemie (PLM)
15	Q, K, R, L	COPPER (II) ION	non-polymer		63.5	6	Chemie (CU)
16	R, L	HEME-A	non-polymer		852.8	4	Chemie (HEA)
17	F, R, S, L, X...	CARDIOLIPIN	non-polymer		1464.0	16	Chemie (CDL)
18	S, L, X, P	(2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate	non-polymer		718.0	4	Chemie (9Y0)
19	T, Z, E, F	MENAQUINONE-9	non-polymer		785.2	6	Chemie (MQ9)
20	O, I	HEME C	non-polymer		618.5	4	Chemie (HEC)
21	E, F, Y, M, O...	(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	8	Chemie (9YF)
22	E, F	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
23	E, F	6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide	non-polymer		557.0	2	Chemie (HUU)
24	Y, M	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)

Sequence modifications

P, J: 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

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	661905.4
Non-Polymers*	Number of molecules	64
	Total formula weight	51436.9
All*	Total formula weight	713342.3

*Water molecules are not included.