Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118. Determined by X-ray diffraction at 2.05 Å resolution. Released 27 Feb 2019.
Explore 6HS4 in 3D Show helices and sheets RCSB PDB PDBe
6HS4 contains 15 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 | 35-39 | 5 | 1 |
| β-strand | 42-46 | 5 | 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 | 250-262 | 13 | |
| β-strand | 273-277 | 5 | 4 |
| β-strand | 306-309 | 4 | 4 |
| β-strand | 472-477 | 6 | 4 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 503 | 1 | 1 |
| β-strand | 515-520 | 6 | 3 |
| α-helix | 525-526 | 2 | |
| 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 | 613-620 | 8 | |
| α-helix | 623-625 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Envelope glycoprotein,GP1,Envelope glycoprotein | A | protein | 331 | Zaire ebolavirus (strain Mayinga-76), Ebola virus - Mayinga, Zaire, 1976 | Q05320 (AlphaFold model) |
| Envelope glycoprotein | B | protein | 168 | Zaire ebolavirus | Q05320 (AlphaFold model) |
>6HS4_1 Envelope glycoprotein,GP1,Envelope glycoprotein (chains A) ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWG FRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPC AGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATE DPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVXXXXXXXXSTHHQDTG EESASSGKLGLITNTIAGVAGLITGGRRTRR
>6HS4_2 Envelope glycoprotein (chains B) EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQL ANETTQALQLFLRATTELRTFSILNRKAIDFLLQRWGGTCHILGPDCCIEPADWTKNITD KIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGTHHHHHH
| ID | Name | Formula | Copies |
|---|---|---|---|
| GON | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carb… | C23 H26 N4 O3 | 2 |
| NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | C8 H15 N O6 | 5 |
Water and common crystallization additives (DMS, GOL) are not listed.
Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. Shaikh, F., Zhao, Y., Alvarez, L. et al. J Med Chem (2019) 62:2928-2937. DOI 10.1021/acs.jmedchem.8b01328 · 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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