Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone. Determined by X-ray diffraction at 1.59 Å resolution. Released 21 Jun 2017.
Explore 5PAQ in 3D Show helices and sheets RCSB PDB PDBe
5PAQ contains 15 α-helices and 27 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 154-157 | 4 | |
| β-strand | 161-165 | 5 | 1 |
| β-strand | 169-173 | 5 | 1 |
| β-strand | 178-180 | 3 | 2 |
| β-strand | 187-189 | 3 | 2 |
| α-helix | 199-203 | 5 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 214 | 1 | 3 |
| β-strand | 217-218 | 2 | 4 |
| β-strand | 227-232 | 6 | 5 |
| β-strand | 235-242 | 8 | 5 |
| β-strand | 247-250 | 4 | 5 |
| α-helix | 252-255 | 4 | |
| α-helix | 261-263 | 3 | |
| β-strand | 264-268 | 5 | 5 |
| β-strand | 272 | 1 | 6 |
| β-strand | 281-291 | 11 | 5 |
| β-strand | 304-308 | 5 | 5 |
| α-helix | 311-314 | 4 | |
| β-strand | 315 | 1 | 7 |
| β-strand | 318 | 1 | 7 |
| α-helix | 320-321 | 2 | |
| β-strand | 322 | 1 | 4 |
| α-helix | 326-331 | 6 | |
| α-helix | 333-335 | 3 | |
| β-strand | 338-343 | 6 | 4 |
| β-strand | 346 | 1 | 8 |
| α-helix | 352 | 1 | |
| β-strand | 353 | 1 | 8 |
| α-helix | 354 | 1 | |
| β-strand | 356 | 1 | 6 |
| β-strand | 358-365 | 8 | 4 |
| α-helix | 367-373 | 7 | |
| β-strand | 387-390 | 4 | 4 |
| β-strand | 398 | 1 | 3 |
| α-helix | 401-403 | 3 | |
| β-strand | 407-412 | 6 | 4 |
| β-strand | 415-424 | 10 | 4 |
| β-strand | 435-439 | 5 | 4 |
| α-helix | 440-443 | 4 | |
| α-helix | 444-451 | 8 | |
| α-helix | 454-455 | 2 | |
| β-strand | 460-463 | 4 | 5 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Coagulation factor VII light chain | A | protein | 64 | Homo sapiens | P08709 (AlphaFold model) |
| Coagulation factor VII heavy chain | B | protein | 254 | Homo sapiens | P08709 (AlphaFold model) |
>5PAQ_1 Coagulation factor VII light chain (chains A) LICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASK PQGR
>5PAQ_2 Coagulation factor VII heavy chain (chains B) IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHD LSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERT LAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGY SDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMR SEPRPGVLLRAPFP
| ID | Name | Formula | Copies |
|---|---|---|---|
| CA | Calcium ion | Ca | 1 |
| 7ZA | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phe… | C32 H36 N4 O3 | 1 |
Water and common crystallization additives (CL, GOL, SO4) are not listed.
Crystal Structure of a Factor VIIa complex. Mayweg, A., Roever, S., Rudolph, M.G. To be published.
Other PDB entries of the same protein (UniProt P08709 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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