Crystal structure of ebolavirus glycoprotein in complex with paroxetine. Determined by X-ray diffraction at 2.4 Å resolution. Released 3 Jan 2018.
Explore 6F6I in 3D Show helices and sheets RCSB PDB PDBe
6F6I contains 14 α-helices and 26 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 | 32-34 | 3 | |
| β-strand | 36-39 | 4 | 1 |
| β-strand | 42-45 | 4 | 1 |
| α-helix | 48-50 | 3 | |
| α-helix | 60-62 | 3 | |
| β-strand | 63-69 | 7 | 1 |
| α-helix | 70-73 | 4 | |
| α-helix | 79-83 | 5 | |
| β-strand | 86-89 | 4 | 2 |
| β-strand | 96-98 | 3 | 1 |
| β-strand | 101 | 1 | 1 |
| β-strand | 102-103 | 2 | 3 |
| β-strand | 105-114 | 10 | 4 |
| β-strand | 120 | 1 | 4 |
| α-helix | 123-126 | 4 | |
| β-strand | 135-144 | 10 | 4 |
| β-strand | 151-154 | 4 | 2 |
| β-strand | 159-161 | 3 | 1 |
| β-strand | 165-167 | 3 | 1 |
| β-strand | 169 | 1 | 2 |
| α-helix | 170-171 | 2 | |
| β-strand | 176 | 1 | 4 |
| β-strand | 177-185 | 9 | 1 |
| β-strand | 216-223 | 8 | 4 |
| β-strand | 231-237 | 7 | 4 |
| β-strand | 240-243 | 4 | 4 |
| α-helix | 250-263 | 14 | |
| β-strand | 273-277 | 5 | 4 |
| β-strand | 308-310 | 3 | 4 |
| β-strand | 473-476 | 4 | 4 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 503 | 1 | 1 |
| β-strand | 515-520 | 6 | 3 |
| α-helix | 539-541 | 3 | |
| β-strand | 543-548 | 6 | 3 |
| α-helix | 551-553 | 3 | |
| α-helix | 554-575 | 22 | |
| β-strand | 580-581 | 2 | 1 |
| α-helix | 584-597 | 14 | |
| α-helix | 613-619 | 7 | |
| α-helix | 622-625 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Envelope glycoprotein,GP,GP1 | A | protein | 330 | Ebola virus | Q05320 (AlphaFold model) |
| Envelope glycoprotein | B | protein | 168 | Ebola virus | Q05320 (AlphaFold model) |
>6F6I_1 Envelope glycoprotein,GP,GP1 (chains A) ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWG FRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPC AGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATE DPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSTHHQDTGEESASSGK LGLITNTIAGVAGLITGGRRTRRXXXXXXX
>6F6I_2 Envelope glycoprotein (chains B) EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQL ANETTQALQLFLRATTELRTFSILNRKAIDFLLQRWGGTCHILGPDCCIEPADWTKNITD KIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGTHHHHHH
| ID | Name | Formula | Copies |
|---|---|---|---|
| 8PR | Paroxetine | C19 H20 F N O3 | 1 |
| NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | C8 H15 N O6 | 4 |
Water and common crystallization additives (GOL, DMS) are not listed.
Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. Ren, J., Zhao, Y., Fry, E.E. et al. J Med Chem (2018) 61:724-733. DOI 10.1021/acs.jmedchem.7b01249 · PubMed
Other PDB entries of the same protein (UniProt Q05320 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 6F6I directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.