PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z802540802. Determined by X-ray diffraction at 1.31 Å resolution. Released 29 Nov 2023.
Explore 7GPG in 3D Show helices and sheets RCSB PDB PDBe
7GPG contains 14 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 | 2-14 | 13 | |
| β-strand | 15-20 | 6 | 1 |
| β-strand | 23-31 | 9 | 1 |
| β-strand | 32 | 1 | 2 |
| β-strand | 34-38 | 5 | 1 |
| α-helix | 39-41 | 3 | |
| β-strand | 46-49 | 4 | 1 |
| β-strand | 52-63 | 12 | 1 |
| β-strand | 69-77 | 9 | 1 |
| α-helix | 82 | 1 | |
| β-strand | 83 | 1 | 2 |
| α-helix | 84 | 1 | |
| α-helix | 87-89 | 3 | |
| β-strand | 97-104 | 8 | 1 |
| β-strand | 112-127 | 16 | 1 |
| β-strand | 130-138 | 9 | 1 |
| α-helix | 149 | 1 | |
| β-strand | 150-153 | 4 | 1 |
| β-strand | 156-164 | 9 | 1 |
| β-strand | 169-173 | 5 | 1 |
| α-helix | 176-178 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 2-14 | 13 | |
| β-strand | 15-20 | 6 | 1 |
| β-strand | 23-31 | 9 | 1 |
| β-strand | 32 | 1 | 3 |
| β-strand | 34-38 | 5 | 1 |
| α-helix | 39-41 | 3 | |
| β-strand | 46-49 | 4 | 1 |
| β-strand | 52-63 | 12 | 1 |
| β-strand | 69-77 | 9 | 1 |
| α-helix | 81-82 | 2 | |
| β-strand | 83 | 1 | 3 |
| α-helix | 84-85 | 2 | |
| α-helix | 87-89 | 3 | |
| β-strand | 97-104 | 8 | 1 |
| β-strand | 112-127 | 16 | 1 |
| β-strand | 130-139 | 10 | 1 |
| β-strand | 150-153 | 4 | 1 |
| β-strand | 156-164 | 9 | 1 |
| β-strand | 168-173 | 6 | 1 |
| α-helix | 174 | 1 | |
| α-helix | 176-178 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Protease 3C | A, B | protein | 182 | Human Enterovirus D68 | Q68T42 (AlphaFold model) |
>7GPG_1 Protease 3C (chains A, B) MGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYINDVETRVLDA CALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDAVLSVHTSKFPNMYIPVGQV TNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGIHVGGNGAQGFAAMLLHSYF TD
| ID | Name | Formula | Copies |
|---|---|---|---|
| TWC | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one | C6 H7 F3 N2 O | 1 |
Water and common crystallization additives (DMS) are not listed.
Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals. Lithgo, R.M., Tomlinson, C.W.E., Fairhead, M. et al. bioRxiv (2024). DOI 10.1101/2024.04.29.591684 · PubMed
Other PDB entries of the same protein (UniProt Q68T42 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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