MolNFT v1 · #165467 · protein
Crystal structure of the haemagglutinin mutant (GLN226LEU, GLY228SER) from an H10N7 seal influenza virus isolated in germany
6TWH · Hemagglutinin: “Crystal structure of the haemagglutinin mutant (GLN226LEU, GLY228SER) from an H10N7 seal influenza virus…”. X-ray diffraction, 2 ligands (NAG, CA), 20 pockets (best druggability 0.86). MolNFT v1 #165467 on GenesisL1…
- PDB
- 6TWH
- Type
- protein
- Length
- 2,943 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Hemagglutinin HA2
- UniProt
- A0A0A7HR51
- Ligands
- NAG, CA
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 6 distinct chains · 13% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 316 | 9% helix, 41% strand | A0A0A7HR51 |
| B, D, F, M, O, Q | Hemagglutinin HA2 | protein | 172 | 54% helix, 15% strand | A0A0A7HR51 |
| C | Hemagglutinin | protein | 315 | 9% helix, 41% strand | A0A0A7HR51 |
| E, P | Hemagglutinin | protein | 322 | 8% helix, 40% strand | A0A0A7HR51 |
| L | Hemagglutinin | protein | 316 | 9% helix, 41% strand | A0A0A7HR51 |
| N | Hemagglutinin | protein | 320 | 8% helix, 41% strand | A0A0A7HR51 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B, E, D, C, F, M, P, N, L, O, Q
- CA · Calcium ion · metal · 3 copies · chains B, E, F, N, O, Q, M, P
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 | 1068 | 0.86 | 0.87 | 129 | empty |
| 2 | 200 | 0.84 | 0.97 | 24 | empty |
| 3 | 197 | 0.84 | 0.97 | 23 | empty |
| 4 | 398 | 0.84 | 0.92 | 42 | empty |
| 5 | 107 | 0.78 | 0.97 | 33 | empty |
Interfaces
30 interfaces between chains.
- L–M · 3328 Ų buried · 45 hydrogen bonds · protein-protein
- P–Q · 3318 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 3303 Ų buried · 43 hydrogen bonds · protein-protein
- E–F · 3291 Ų buried · 40 hydrogen bonds · protein-protein
- N–O · 3265 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 35 disulfide, 10 glycan (disulfide, N-glycosylation).
Compared structures
- 6TWH · 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 6TWH · PDBe 6TWH · UniProt A0A0A7HR51
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