MolNFT v1 · #1708 · protein
Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in teh active site
1B9V · Protein (neuraminidase): “Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved…”. X-ray diffraction, 3 ligands (RA2, NAG, CA), 2 pockets (best druggability 0.79). MolNFT v1 #1708 on…
- PDB
- 1B9V
- Type
- protein
- Length
- 390 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (neuraminidase)
- EC
- 3.2.1.18
- UniProt
- P03474
- Ligands
- RA2, NAG, CA
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (neuraminidase) (EC 3.2.1.18) | protein | 390 | 1% helix, 45% strand | P03474 |
Ligands and binding sites
- RA2 · 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.79 | 0.97 | 26 | empty |
| 2 | 198 | 0.56 | 0.80 | 24 | RA2 |
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1B9V · Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions… · 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 P03474
- Elsewhere: RCSB PDB 1B9V · PDBe 1B9V · UniProt P03474
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