Research workbench
Structure of the Kupe virus OTU bound to the C-terminal domain of sheep ISG15
Analyse Structure of the Kupe virus OTU bound to the C-terminal domain of sheep ISG15 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OAR
- Type
- protein
- Length
- 938 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.063
- Source
- Kupe virus; Ovis aries
- Molecule
- RNA-dependent RNA polymerase; Interferon stimulated gene 17
- UniProt
- B8PWH5, Q9GKP4
- Ligands
- AYE
- Pockets
- 13 · best druggability 0.69
Structure
x-ray diffraction · resolution 2.063 · 3 distinct chains · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | RNA-dependent RNA polymerase | protein | 158 | 37% helix, 26% strand | B8PWH5 |
| B, D, F, H | Interferon stimulated gene 17 | protein | 77 | 25% helix, 38% strand | Q9GKP4 |
| C, E | RNA-dependent RNA polymerase | protein | 157 | 36% helix, 26% strand | B8PWH5 |
Ligands and binding sites
- AYE · prop-2-en-1-amine · ligand · 4 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 565 | 0.69 | 0.79 | 65 | empty |
| 2 | 374 | 0.68 | 0.81 | 56 | AYE |
| 3 | 241 | 0.65 | 0.83 | 45 | AYE |
| 4 | 294 | 0.60 | 0.78 | 37 | empty |
| 5 | 281 | 0.59 | 0.78 | 37 | empty |
Interfaces
12 interfaces between chains.
- E–F · 1045 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1039 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1026 Ų buried · 14 hydrogen bonds · protein-protein
- G–H · 1024 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 526 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 covalent (covalent ligand).
Compared structures
- 6OAR · Structure of the kupe virus otu bound to the C-terminal domain of sheep ISG15 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt B8PWH5
- Every structure of UniProt Q9GKP4
- Elsewhere: RCSB PDB 6OAR · PDBe 6OAR · UniProt B8PWH5 · UniProt Q9GKP4
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