TABLE 2. Summary of the models of the core subunits of B. taurus complex I.
| Subunit | Total residues* | Modelled residues | Poorly resolved / uncertain residue numbering | Unresolved residues | Unresolved elements (>10 residues) | %Modelled | %Identical† | RMSD† |
|---|---|---|---|---|---|---|---|---|
| ND1 | 318 | 3 - 200 219 - 242 253 - 315 |
1 - 2 201 - 218 243 - 252 316 - 318 |
Matrix loop (TMH 5 - 6) IMS loop (TMH 6 - 7) |
90% (285/318) |
42% (132/318) |
1.60 Å | |
| ND2 | 347 | 2 - 300 320 - 346 |
TMH11 |
1 301 - 319 347 |
Matrix loop (TMH 10 - 11) |
94% (326/347) |
25% (86/347) |
2.08 Å |
| ND3 | 115 | 2 - 23 52 - 112 |
1 24 - 51 113 - 115 |
Matrix loop (TMH 1 - 2) |
72% (83/115) |
27% (31/115) |
2.05 Å | |
| ND4 | 459 | 3 - 415 430 - 455 |
TMH14 |
1 - 2 416 - 429 456 - 459 |
Matrix loop (TMH 13 - 14) |
96% (439/459) |
24% (111/459) |
2.20 Å |
| ND4L | 98 | 1 - 84 | 85 - 98 | Matrix loop (C-terminus) | 86% (84/98) |
21% (21/98) |
2.66 Å | |
| ND5 | 606 | 4 - 22 28 - 358 363 - 400 408 - 466 487 - 513 520 - 604 |
TMH1 TMH13 & TMH14 TMH15 Transverse helix & TMH16 |
1 - 3 23 - 27 359 - 362 401 - 407 467 - 486 514 - 519 605 - 606 |
Matrix loop (TMH 1 - 2) Matrix loop (TMH 11 - 12) IMS loop (TMH 12 - 13) IMS loop (TMH 14 - 15) TMH 15 to transverse helix |
92% (558/606) |
31% (187/606) |
2.53 Å |
| ND6 | 175 | 2 - 76 85 - 107 140 - 172 |
TMH5 |
1 77 - 84 108 - 139 173 - 175 |
Matrix loop (TMH 3 - 4) IMS loop (TMH 4 - 5) |
75% (131/175) | 16% (28/175) | 1.83 Å |
|
| ||||||||
| 75 kDa NDUFS1 |
704 | 8 - 125 136 - 318 326 - 347 367 - 400 404 - 410 425 - 495 525 - 530 542 - 627 |
The large domain (222 - 704) is generally poorly resolved. The sequence alignment is weak and the secondary structure content low. Residues 404 - 629 are particularly poorly resolved. |
1 - 7 126 - 135 319 - 325 348 - 366 400 - 403 411 -424 496 - 524 531 -541 628 - 704 |
Probable loop region Probable loop region Probable loop region Probable loop region Probable subdomain |
75% (527/704) 1 - 221: 92% 222 - 704: 67% |
27% (189/704) 1 - 221 40% 222 - 704: 21% |
1.96 Å 1 - 221: 1.57 Å 222 - 704: 2.11 Å |
| 51 kDa NDUFV1 |
444 | 31 - 441 | Flavin and NADH binding site (63 - 72, 99 - 104, 181 - 189, 300 - 304, 327 - 333) | 1 - 30 442 - 444 |
N-terminal peptide | 93% (411/444) | 43% (191/444) | 1.61 Å |
| 49 kDa NDUFS2 |
430 | 47 - 430 | 3-strand β-sheet (47 - 79) | 1 - 46 | N-terminal region | 89% (384/430) | 42% (179/430) | 1.41 Å |
| 30 kDa NDUFS3 |
228 | 15 - 168 | Numbering uncertain to 72 Loop / β-strand (73 - 83) |
1 - 14 169 - 228 |
N-terminal peptide C-terminal region |
68% (154/228) | 24% (54/228) | 1.66 Å |
| 24 kDa NDUFV2 |
217 | 20 - 178 | Loop 126 - 132 | 1 - 19 179 - 217 |
N-terminal peptide C-terminal region |
73% (159/217) | 27% (59/217) | 1.57 Å |
| PSST NDUFS7 |
179 | 27 - 169 | Loop 68 - 79 | 1 - 26 170 - 179 |
N-terminal peptide | 80% (143/179) | 49% (88/179) | 1.44 Å |
| TYKY NDUFS8 |
176 | 15 - 176 | 1 - 14 | N-terminal peptide | 92% (162/176) | 36% (63/176) | 1.89 Å | |
*
For proteins with a mitochondrial-targeting pre-sequence, residue 1 is the first residue of the mature protein2,3.
†
The %identity and the RMSD (root mean square deviation calculated using PDBeFOLD59) are between the sequences and structures of the subunits of B. taurus and T. thermophilus (4HEA.pdb) complexes I.