MolNFT v1 · #110035 · protein
Crystal structure of hemagglutinin from taiwan (2013) H6N1 influenza virus in complex with 3'-sln
4XKE · Hemagglutinin HA1 chain: “Crystal structure of hemagglutinin from taiwan (2013) H6N1 influenza virus in complex with 3'-sln”. X-ray diffraction, 3 ligands (NAG, GAL, SIA), 20 pockets (best druggability 0.87). MolNFT v1 #110035 on…
- PDB
- 4XKE
- Type
- protein
- Length
- 1,499 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- Ligands
- NAG, GAL, SIA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 5 distinct chains · 21% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 chain | protein | 330 | 8% helix, 37% strand | — |
| B, D | Hemagglutinin HA2 chain | protein | 173 | 55% helix, 13% strand | — |
| C | Hemagglutinin HA1 chain | protein | 326 | 10% helix, 38% strand | — |
| E | Hemagglutinin HA1 chain | protein | 325 | 10% helix, 38% strand | — |
| F | Hemagglutinin HA2 chain | protein | 172 | 57% helix, 13% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, C, D, E, F
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 944 | 0.87 | 0.89 | 115 | empty |
| 2 | 122 | 0.80 | 0.98 | 17 | empty |
| 3 | 919 | 0.74 | 0.78 | 85 | empty |
| 4 | 180 | 0.70 | 0.88 | 28 | empty |
| 5 | 231 | 0.64 | 0.82 | 37 | empty |
Interfaces
15 interfaces between chains.
- C–D · 2767 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2754 Ų buried · 40 hydrogen bonds · protein-protein
- E–F · 2714 Ų buried · 38 hydrogen bonds · protein-protein
- B–D · 1351 Ų buried · 18 hydrogen bonds · protein-protein
- D–F · 1283 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 4XKE · Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex… · 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 4XKE · PDBe 4XKE
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.