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
- 7FGD
- Type
- protein
- Length
- 774 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toad na (ose)
- Ligands
- G39, CA
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Toad na (ose) | protein | 387 | 3% helix, 45% strand | — |
Ligands and binding sites
- G39 · (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy) cyclohex-1-ene-1-carboxylic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.64 | 0.79 | 41 | empty |
| 2 | 209 | 0.60 | 0.82 | 26 | G39 |
| 3 | 196 | 0.58 | 0.81 | 26 | G39 |
| 4 | 133 | 0.50 | 0.80 | 35 | empty |
| 5 | 82 | 0.41 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1522 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 7FGD · 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 7FGD · PDBe 7FGD
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