MolNFT v1 · #165468 · protein
Crystal structure of the haemagglutinin mutant (GLN226LEU, GLY228SER) from an H10N7 seal influenza virus isolated in germany in complex with avian receptor analogue 3'-sln
6TWI · Hemagglutinin: “Crystal structure of the haemagglutinin mutant (GLN226LEU, GLY228SER) from an H10N7 seal influenza virus…”. X-ray diffraction, 4 ligands (NAG, GAL, SIA), 20 pockets (best druggability 0.87). MolNFT v1 #165468 on…
- PDB
- 6TWI
- Type
- protein
- Length
- 1,479 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Hemagglutinin HA2
- UniProt
- A0A0A7HR51
- Ligands
- NAG, GAL, SIA, CA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemagglutinin | protein | 320 | 8% helix, 40% strand | A0A0A7HR51 |
| B, D, F | Hemagglutinin HA2 | protein | 172 | 53% helix, 12% strand | A0A0A7HR51 |
| E | Hemagglutinin | protein | 323 | 8% helix, 40% strand | A0A0A7HR51 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, C, D, B, E, F
- GAL · beta-D-galactopyranose · sugar · 3 copies · chains A, C, E
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 3 copies · chains A, C, E
- CA · Calcium ion · metal · 3 copies · chains A, B, D, C, F, E
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 944 | 0.87 | 0.88 | 112 | empty |
| 2 | 189 | 0.83 | 0.97 | 25 | empty |
| 3 | 115 | 0.77 | 0.96 | 29 | empty |
| 4 | 89 | 0.75 | 0.97 | 22 | empty |
| 5 | 84 | 0.73 | 0.96 | 19 | empty |
Interfaces
15 interfaces between chains.
- E–F · 3344 Ų buried · 43 hydrogen bonds · protein-protein
- A–B · 3290 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 3231 Ų buried · 40 hydrogen bonds · protein-protein
- B–F · 1571 Ų buried · 13 hydrogen bonds · protein-protein
- D–F · 1566 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 6TWI · 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 6TWI · PDBe 6TWI · UniProt A0A0A7HR51
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