MolNFT v1 · #165479 · protein
Crystal structure of the haemagglutinin mutant (GLN226LEU) from an H10N7 seal influenza virus isolated in germany with human receptor analogue, 6'SLN
6TWV · Hemagglutinin HA1: “Crystal structure of the haemagglutinin mutant (GLN226LEU) from an H10N7 seal influenza virus isolated in…”. X-ray diffraction, 4 ligands (NAG, GAL, SIA), 20 pockets (best druggability 0.84). MolNFT v1 #165479 on…
- PDB
- 6TWV
- Type
- protein
- Length
- 2,934 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1; Hemagglutinin HA2
- UniProt
- A0A0A7HR51
- Ligands
- NAG, GAL, SIA, CA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 14% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, G | Hemagglutinin HA1 | protein | 318 | 9% helix, 40% strand | A0A0A7HR51 |
| D, F, L, B, H, J | Hemagglutinin HA2 | protein | 172 | 53% helix, 14% strand | A0A0A7HR51 |
| E | Hemagglutinin HA1 | protein | 313 | 9% helix, 40% strand | A0A0A7HR51 |
| K, I | Hemagglutinin HA1 | protein | 319 | 9% helix, 40% strand | A0A0A7HR51 |
| A | Hemagglutinin HA1 | protein | 315 | 9% helix, 41% strand | A0A0A7HR51 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains C, G, I, D, K, F, L, E, A, B, H, J
- GAL · beta-D-galactopyranose · sugar · 5 copies · chains C, E, K, G, I
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 5 copies · chains C, E, K, G, I
- CA · Calcium ion · metal · 2 copies · chains C, D, F, B, I, J
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 | 1180 | 0.84 | 0.85 | 146 | empty |
| 2 | 209 | 0.84 | 0.97 | 23 | empty |
| 3 | 212 | 0.84 | 0.97 | 26 | empty |
| 4 | 1198 | 0.83 | 0.84 | 138 | empty |
| 5 | 89 | 0.75 | 0.97 | 16 | empty |
Interfaces
31 interfaces between chains.
- I–J · 3323 Ų buried · 39 hydrogen bonds · protein-protein
- G–H · 3320 Ų buried · 40 hydrogen bonds · protein-protein
- E–F · 3317 Ų buried · 39 hydrogen bonds · protein-protein
- C–D · 3301 Ų buried · 44 hydrogen bonds · protein-protein
- K–L · 3300 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 10 glycan (disulfide, N-glycosylation).
Compared structures
- 6TWV · Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza… · the same entry in another collection · chain C against C, 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 6TWV · PDBe 6TWV · UniProt A0A0A7HR51
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