8HCR
Cryo-EM structure of the Mycobacterium tuberculosis cytochrome bcc:aa3 supercomplex and a novel inhibitor targeting subunit cytochrome cI
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, J (A, M) | Cytochrome bc1 complex Rieske iron-sulfur subunit | polymer | 429 | 46976.5 | 2 | UniProt (A0A045GW18) Pfam (PF19297) Pfam (PF00355) UniProt (by SIFTS) (P9WH23) | Mycobacterium tuberculosis variant bovis BCG | Cytochrome bc1 reductase complex subunit QcrA,Rieske iron-sulfur protein |
| 2 | B, K (B, N) | Cytochrome bc1 complex cytochrome b subunit | polymer | 573 | 63926.0 | 2 | UniProt (A0A0K2HYC0) Pfam (PF13631) UniProt (by SIFTS) (P9WP37) | Mycobacterium tuberculosis variant bovis BCG | Cytochrome bc1 reductase complex subunit QcrB |
| 3 | C, L (C, O) | Cytochrome bc1 complex cytochrome c subunit | polymer | 280 | 29170.4 | 2 | UniProt (P9WP35) Pfam (PF00034) Pfam (PF13442) | Mycobacterium tuberculosis variant bovis BCG | Cytochrome bc1 reductase complex subunit QcrC,Ubiquinol--cytochrome c reductase cytochrome c subunit |
| 4 | D, M (E, Q) | CYTOCHROME AA3 SUBUNIT CtaC | polymer | 363 | 40535.6 | 2 | Pfam (PF00116) UniProt (by SIFTS) (P9WP69) | Mycobacterium tuberculosis variant bovis BCG | |
| 5 | E, N (F, R) | Probable cytochrome c oxidase subunit 1 | polymer | 573 | 63722.3 | 2 | UniProt (P9WP71) Pfam (PF00115) | Mycobacterium tuberculosis variant bovis BCG | Cytochrome aa3 subunit 1,Cytochrome c oxidase polypeptide I |
| 6 | F, O (G, S) | Probable cytochrome c oxidase subunit 3 | polymer | 203 | 22435.0 | 2 | UniProt (P9WP67) Pfam (PF00510) | Mycobacterium tuberculosis variant bovis BCG | Cytochrome aa3 subunit 3,Cytochrome c oxidase polypeptide III |
| 7 | G, P (H, T) | Cytochrome c oxidase polypeptide 4 | polymer | 139 | 14874.1 | 2 | UniProt (A0A0K2HXG0) Pfam (PF12270) UniProt (by SIFTS) (P9WP45) | Mycobacterium tuberculosis variant bovis BCG | Cytochrome aa3 subunit 4,Cytochrome c oxidase polypeptide IV |
| 8 | H, Q (I, U) | CYTOCHROME AA3 SUBUNIT CtaJ | polymer | 79 | 8408.6 | 2 | UniProt (by SIFTS) (I6YDH3) | Mycobacterium tuberculosis variant bovis BCG | |
| 9 | I, R (J, V) | DUF5130 domain-containing protein | polymer | 155 | 15982.0 | 2 | UniProt (A0A7U4BVZ0) Pfam (PF17174) UniProt (by SIFTS) (P9WLA7) | Mycobacterium tuberculosis variant bovis BCG | |
| 10 | S, Z (A, M) | FE2/S2 (INORGANIC) CLUSTER | non-polymer | 175.8 | 2 | Chemie (FES) | |||
| 11 | AA, BA, T, U (N, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 12 | CA, DA, V, W (O, C) | HEME C | non-polymer | 618.5 | 4 | Chemie (HEC) | |||
| 13 | EA, FA, X, Y (R, F) | HEME-A | non-polymer | 852.8 | 4 | Chemie (HEA) |
Sequence modifications
B, N: 1 - 549 (UniProt: A0A0K2HYC0)
| PDB | External Database | Details |
|---|---|---|
| Gly 550 | - | expression tag |
| Gly 551 | - | expression tag |
| Gly 552 | - | expression tag |
| Gly 553 | - | expression tag |
| Glu 554 | - | expression tag |
| Asn 555 | - | expression tag |
| Leu 556 | - | expression tag |
| Tyr 557 | - | expression tag |
| Phe 558 | - | expression tag |
| Gln 559 | - | expression tag |
| Asp 560 | - | expression tag |
| Tyr 561 | - | expression tag |
| Lys 562 | - | expression tag |
| Asp 563 | - | expression tag |
| Asp 564 | - | expression tag |
| Asp 565 | - | expression tag |
| Asp 566 | - | expression tag |
| Lys 567 | - | expression tag |
| His 568 | - | expression tag |
| His 569 | - | expression tag |
| His 570 | - | expression tag |
| His 571 | - | expression tag |
| His 572 | - | expression tag |
| His 573 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 18 |
| Total formula weight | 612061.1 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 8702.9 | |
| All* | Total formula weight | 620764.1 |
