MolNFT v1 · #24695 · protein
Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III: complex with zanamavir
1V3E · Hemagglutinin-neuraminidase glycoprotein: “Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III: complex with zanamavir”. X-ray diffraction, 4 ligands (ZMR, NAG, CA), 11 pockets (best druggability…
- PDB
- 1V3E
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin-neuraminidase glycoprotein
- EC
- 3.2.1.18
- Ligands
- ZMR, NAG, CA, SO4
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hemagglutinin-neuraminidase glycoprotein (EC 3.2.1.18) | protein | 431 | 5% helix, 45% strand | — |
Ligands and binding sites
- ZMR · Zanamivir · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 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
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.76 | 0.97 | 27 | empty |
| 2 | 392 | 0.74 | 0.85 | 56 | empty |
| 3 | 347 | 0.65 | 0.79 | 38 | ZMR |
| 4 | 322 | 0.63 | 0.79 | 33 | ZMR |
| 5 | 160 | 0.59 | 0.82 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1614 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 1V3E · Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III… · 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 1V3E · PDBe 1V3E
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