MolNFT v1 · #16217 · protein
Influenza B virus neuraminidase can synthesize its own inhibitor
1NSC: “Influenza B virus neuraminidase can synthesize its own inhibitor”. X-ray diffraction, 3 ligands (NAG, SIA, CA), 5 pockets (best druggability 0.79). MolNFT v1 #16217 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NSC
- Type
- protein
- Length
- 780 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- EC
- 3.2.1.18
- UniProt
- P27907
- Ligands
- NAG, SIA, CA
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Neuraminidase (EC 3.2.1.18) | protein | 390 | 2% helix, 48% strand | P27907 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.79 | 0.97 | 30 | empty |
| 2 | 129 | 0.79 | 0.97 | 29 | empty |
| 3 | 175 | 0.57 | 0.82 | 24 | SIA |
| 4 | 171 | 0.57 | 0.82 | 29 | SIA |
| 5 | 172 | 0.47 | 0.76 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 1997 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 1NSC · Influenza B virus neuraminidase can synthesize its own inhibitor · 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 P27907
- Elsewhere: RCSB PDB 1NSC · PDBe 1NSC · UniProt P27907
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