Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, L (A, M) | Cytochrome bc1 complex Rieske iron-sulfur subunit | polymer | 421 | 46383.1 | 2 | UniProt (A0R051) Pfam (PF19297) Pfam (PF00355) | Mycolicibacterium smegmatis MC2 155 | Cytochrome bc1 reductase complex subunit QcrA,Rieske iron-sulfur protein,QcrA |
| 2 | B, M (B, N) | Cytochrome bc1 complex cytochrome b subunit | polymer | 546 | 60262.9 | 2 | UniProt (A0R052) Pfam (PF13631) | Mycolicibacterium smegmatis MC2 155 | Cytochrome bc1 reductase complex subunit QcrB,QcrB |
| 3 | C, N (C, O) | Cytochrome bc1 complex cytochrome c subunit | polymer | 268 | 27874.5 | 2 | UniProt (A0R050) Pfam (PF00034) Pfam (PF13442) | Mycolicibacterium smegmatis MC2 155 | QcrC |
| 4 | D, O (D, P) | Transmembrane protein | polymer | 84 | 9531.1 | 2 | UniProt (A0QVH4) Pfam (PF10939) | Mycolicibacterium smegmatis MC2 155 | PRSAF1 |
| 5 | E, P (E, Q) | Cytochrome c oxidase subunit 2 | polymer | 341 | 38077.5 | 2 | UniProt (A0R057) Pfam (PF00116) | Mycolicibacterium smegmatis MC2 155 | CtaC |
| 6 | F, Q (F, R) | Cytochrome c oxidase subunit 1 | polymer | 575 | 64163.0 | 2 | UniProt (A0A2U9PNL2) Pfam (PF00115) | Mycolicibacterium smegmatis MC2 155 | CtaD |
| 7 | G, R (G, S) | Cytochrome c oxidase subunit 3 | polymer | 203 | 22196.9 | 2 | UniProt (A0R049) Pfam (PF00510) | Mycolicibacterium smegmatis MC2 155 | CtaE |
| 8 | H, S (H, T) | Cytochrome c oxidase polypeptide 4 | polymer | 139 | 15177.4 | 2 | UniProt (A0R056) Pfam (PF12270) | Mycolicibacterium smegmatis MC2 155 | Cytochrome aa3 subunit 4,Cytochrome c oxidase polypeptide IV,CtaF |
| 9 | I, T (I, U) | Secreted protein | polymer | 79 | 8365.5 | 2 | UniProt (A0R1B6) | Mycolicibacterium smegmatis MC2 155 | CtaJ |
| 10 | J, U (J, V) | DUF5130 domain-containing protein | polymer | 157 | 15911.0 | 2 | UniProt (A0R1B5) Pfam (PF17174) | Mycolicibacterium smegmatis MC2 155 | CtaI |
| 11 | K, V (L, X) | Superoxide dismutase [Cu-Zn] | polymer | 236 | 23232.4 | 2 | UniProt (A0QQQ1) Pfam (PF00080) | Mycolicibacterium smegmatis MC2 155 | SOD |
| 12 | W, ZA (A, M) | FE2/S2 (INORGANIC) CLUSTER | non-polymer | 175.8 | 2 | Chemie (FES) | |||
| 13 | AB, HA, NB, X (M, C, O, A) | (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) | |||
| 14 | CB, CC, XA, Y (M, T, G, A) | PALMITIC ACID | non-polymer | 256.4 | 4 | Chemie (PLM) | |||
| 15 | AA, DB, EB, Z (B, N) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 16 | BA, BB, CA, DA, FB... (B, M, N, C, D...) | CARDIOLIPIN | non-polymer | 1464.0 | 17 | Chemie (CDL) | |||
| 17 | EA, IB (B, N) | 6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | non-polymer | 541.0 | 2 | Chemie (A1IRE) | |||
| 18 | FA, GA, LB, MB (C, O) | HEME C | non-polymer | 618.5 | 4 | Chemie (HEC) | |||
| 19 | IA, OB (C, O) | MENAQUINONE-9 | non-polymer | 785.2 | 2 | Chemie (MQ9) | |||
| 20 | BC, LA, QB, WA (S, D, P, G) | (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate | non-polymer | 718.0 | 4 | Chemie (9Y0) | |||
| 21 | NA, OA, RA, SA, SB... (E, F, Q, R) | COPPER (II) ION | non-polymer | 63.5 | 8 | Chemie (CU) | |||
| 22 | PA, QA, UB, VB (F, R) | HEME-A | non-polymer | 852.8 | 4 | Chemie (HEA) | |||
| 23 | AC, VA (R, F) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 24 | KB, YA (O, H) | MENAQUINONE-7 | non-polymer | 649.0 | 2 | Chemie (MQ7) | |||
| 25 | DC, EC, FC, GC, HC... (A, B, C, D, E...) | water | water | 18.0 | 211 | Chemie (HOH) |
Sequence modifications
A, M: 15 - 421 (UniProt: A0R051)
B, N: 1 - 546 (UniProt: A0R052)
F, R: 21 - 575 (UniProt: A0A2U9PNL2)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Asp 2 | - | expression tag |
| Tyr 3 | - | expression tag |
| Arg 4 | - | expression tag |
| Asn 5 | - | expression tag |
| Gly 6 | - | expression tag |
| Gly 7 | - | expression tag |
| Arg 8 | - | expression tag |
| His 9 | - | expression tag |
| Arg 10 | - | expression tag |
| Cys 11 | - | expression tag |
| Gly 12 | - | expression tag |
| His 13 | - | expression tag |
| Val 14 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Tyr 156 | Phe 156 | engineered mutation |
| Met 182 | Ile 182 | engineered mutation |
| Leu 189 | Met 189 | engineered mutation |
| Glu 309 | Asp 309 | engineered mutation |
| Ala 312 | Ile 312 | engineered mutation |
| 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 22 |
| Total formula weight | 662350.5 | |
| Non-Polymers* | Number of molecules | 59 |
| Total formula weight | 45440.8 | |
| All* | Total formula weight | 707791.3 |
