MolNFT v1 · #139614 · protein
Complex structure of H4 hemagglutinin from avian influenza H4N6 virus with lsta
5XL3: “Complex structure of H4 hemagglutinin from avian influenza H4N6 virus with lsta”. X-ray diffraction, 3 ligands (NAG, SIA, GAL), 5 pockets (best druggability 0.57). MolNFT v1 #139614 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5XL3
- Type
- protein
- Length
- 982 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- A3KF09
- Ligands
- NAG, SIA, GAL
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hemagglutinin | protein | 319 | 8% helix, 40% strand | A3KF09 |
| C, D | Hemagglutinin | protein | 172 | 52% helix, 15% strand | A3KF09 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains B, A
- GAL · beta-D-galactopyranose · sugar · chains 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.57 | 0.79 | 30 | empty |
| 2 | 227 | 0.56 | 0.79 | 32 | empty |
| 3 | 181 | 0.48 | 0.76 | 27 | empty |
| 4 | 105 | 0.45 | 0.79 | 25 | empty |
| 5 | 74 | 0.39 | 0.78 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2965 Ų buried · 48 hydrogen bonds · protein-protein
- B–D · 2951 Ų buried · 48 hydrogen bonds · protein-protein
- C–D · 223 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 5XL3 · Complex structure of H4 hemagglutinin from avian influenza H4N6 virus with LSTa · 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 A3KF09
- Elsewhere: RCSB PDB 5XL3 · PDBe 5XL3 · UniProt A3KF09
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.