MolNFT v1 · #165516 · protein
Crystal structure of the haemagglutinin mutant (GLN226LEU, GLY228SER) from an H10N7 seal influenza virus isolated in germany in complex with human receptor analogue 6'-sln
6TY1 · Hemagglutinin: “Crystal structure of the haemagglutinin mutant (GLN226LEU, GLY228SER) from an H10N7 seal influenza virus…”. X-ray diffraction, 3 ligands (NAG, SIA, GAL), 20 pockets (best druggability 0.84). MolNFT v1 #165516 on…
- PDB
- 6TY1
- Type
- protein
- Length
- 2,952 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Hemagglutinin HA2
- UniProt
- A0A0A7HR51
- Ligands
- NAG, SIA, GAL
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Hemagglutinin | protein | 320 | 8% helix, 40% strand | A0A0A7HR51 |
| B, D, F, H, J, L | Hemagglutinin HA2 | protein | 172 | 55% helix, 10% strand | A0A0A7HR51 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, D, L, F, C, H, I, J, K, G
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 6 copies · chains A, C, E, G, I, K
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, C, E, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 846 | 0.84 | 0.87 | 109 | empty |
| 2 | 177 | 0.83 | 0.97 | 24 | empty |
| 3 | 80 | 0.75 | 0.97 | 25 | empty |
| 4 | 69 | 0.73 | 0.98 | 15 | empty |
| 5 | 67 | 0.73 | 0.98 | 16 | empty |
Interfaces
23 interfaces between chains.
- A–B · 3372 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 3296 Ų buried · 42 hydrogen bonds · protein-protein
- I–J · 3286 Ų buried · 35 hydrogen bonds · protein-protein
- K–L · 3255 Ų buried · 39 hydrogen bonds · protein-protein
- G–H · 3254 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 7 glycan (disulfide, N-glycosylation).
Compared structures
- 6TY1 · Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal… · 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 A0A0A7HR51
- Elsewhere: RCSB PDB 6TY1 · PDBe 6TY1 · UniProt A0A0A7HR51
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.