MolNFT v1 · #86469 · protein
H1N1 2009 pandemic influenza virus: resistance of the I223R neuraminidase mutant explained by kinetic and structural analysis
4B7M: “H1N1 2009 pandemic influenza virus: resistance of the I223R neuraminidase mutant explained by kinetic and…”. X-ray diffraction, 3 ligands (NAG, CA, PO4), 4 pockets (best druggability 0.66). MolNFT v1 #86469 on GenesisL1: 3D…
- PDB
- 4B7M
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- UniProt
- F8UU09
- Ligands
- NAG, CA, PO4
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Neuraminidase | protein | 386 | 3% helix, 46% strand | F8UU09 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.66 | 0.80 | 51 | PO4 |
| 2 | 371 | 0.66 | 0.80 | 49 | PO4 |
| 3 | 200 | 0.61 | 0.82 | 25 | empty |
| 4 | 62 | 0.32 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1630 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 4B7M · H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant… · 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 F8UU09
- Elsewhere: RCSB PDB 4B7M · PDBe 4B7M · UniProt F8UU09
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