CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine. Determined by X-ray diffraction at 2.29 Å resolution. Released 3 Jan 2018.
Explore 6F6S in 3D Show helices and sheets RCSB PDB PDBe
6F6S contains 15 α-helices and 28 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 | 35-38 | 4 | 1 |
| β-strand | 43-46 | 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 | 1 | |
| β-strand | 124 | 1 | 5 |
| α-helix | 125-126 | 2 | |
| α-helix | 130-132 | 3 | |
| β-strand | 135-144 | 10 | 4 |
| β-strand | 151-154 | 4 | 2 |
| β-strand | 159-162 | 4 | 1 |
| β-strand | 165-167 | 3 | 1 |
| β-strand | 169 | 1 | 2 |
| β-strand | 172 | 1 | 5 |
| 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 | 250-262 | 13 | |
| β-strand | 273-275 | 3 | 4 |
| β-strand | 276-277 | 2 | 6 |
| β-strand | 308-310 | 3 | 6 |
| β-strand | 474-476 | 3 | 6 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 503 | 1 | 1 |
| β-strand | 515-519 | 5 | 3 |
| α-helix | 539-541 | 3 | |
| β-strand | 544-548 | 5 | 3 |
| α-helix | 551-553 | 3 | |
| α-helix | 554-575 | 22 | |
| α-helix | 584-597 | 14 | |
| α-helix | 613-619 | 7 | |
| α-helix | 622-625 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Envelope glycoprotein,Envelope glycoprotein,GP1 | A | protein | 329 | Zaire ebolavirus (strain Mayinga-76), Ebola virus | Q05320 (AlphaFold model) |
| Envelope glycoprotein | B | protein | 168 | Ebola virus | Q05320 (AlphaFold model) |
>6F6S_1 Envelope glycoprotein,Envelope glycoprotein,GP1 (chains A) ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWG FRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPC AGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATE DPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSTHHQDTGEESASSGK LGLITNTIAGVAGLITGGRRTRRXXXXXX
>6F6S_2 Envelope glycoprotein (chains B) EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQL ANETTQALQLFLRATTELRTFSILNRKAIDFLLQRWGGTCHILGPDCCIEPADWTKNITD KIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGTHHHHHH
| ID | Name | Formula | Copies |
|---|---|---|---|
| CXQ | benztropine | C21 H25 N O | 2 |
| NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | C8 H15 N O6 | 5 |
Water and common crystallization additives (DMS, GOL) 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:
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