Research workbench
A naturally-occurring neuraminidase-inhibitors-resistant na from asiatic toad influenza B-like virus
Analyse A naturally-occurring neuraminidase-inhibitors-resistant na from asiatic toad… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7FGB
- Type
- protein
- Length
- 774 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toad na
- Ligands
- NAG, CA, SO4
- Pockets
- 8 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Toad na | protein | 387 | 3% helix, 47% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.65 | 0.80 | 36 | empty |
| 2 | 183 | 0.61 | 0.83 | 24 | SO4 |
| 3 | 186 | 0.59 | 0.82 | 27 | SO4 |
| 4 | 75 | 0.39 | 0.78 | 18 | empty |
| 5 | 88 | 0.37 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1515 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 7FGB · A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza… · 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
- Elsewhere: RCSB PDB 7FGB · PDBe 7FGB
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