MolNFT v1 · #134852 · protein
Crystal structure of H10 hemagglutinin mutant (T193D-Q226L-G228S) from jiangxi-donghu (2013) H10N8 influenza virus
5THB · Hemagglutinin HA1 chain: “Crystal structure of H10 hemagglutinin mutant (T193D-Q226L-G228S) from jiangxi-donghu (2013) H10N8 influenza…”. X-ray diffraction, 3 ligands (NAG, BMA, MAN), 20 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 5THB
- Type
- protein
- Length
- 1,464 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- UniProt
- A0A0J9X252, A0A0J9X253
- Ligands
- NAG, BMA, MAN
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 5 distinct chains · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Hemagglutinin HA1 chain | protein | 318 | 9% helix, 41% strand | A0A0J9X252 |
| B | Hemagglutinin HA2 chain | protein | 171 | 57% helix, 13% strand | A0A0J9X253 |
| C | Hemagglutinin HA1 chain | protein | 319 | 9% helix, 40% strand | A0A0J9X252 |
| D | Hemagglutinin HA2 chain | protein | 169 | 59% helix, 13% strand | A0A0J9X253 |
| F | Hemagglutinin HA2 chain | protein | 169 | 53% helix, 12% strand | A0A0J9X253 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, C, E, B, D, F
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 749 | 0.87 | 0.91 | 95 | empty |
| 2 | 301 | 0.85 | 0.95 | 34 | empty |
| 3 | 159 | 0.80 | 0.96 | 38 | empty |
| 4 | 304 | 0.73 | 0.86 | 45 | empty |
| 5 | 70 | 0.72 | 0.97 | 22 | empty |
Interfaces
15 interfaces between chains.
- A–B · 3217 Ų buried · 48 hydrogen bonds · protein-protein
- E–F · 3159 Ų buried · 44 hydrogen bonds · protein-protein
- C–D · 3080 Ų buried · 40 hydrogen bonds · protein-protein
- B–F · 1499 Ų buried · 16 hydrogen bonds · protein-protein
- D–F · 1486 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 7 glycan (disulfide, N-glycosylation).
Compared structures
- 5THB · Crystal structure of H10 hemagglutinin mutant (T193D-Q226L-G228S) from Jiangxi-Donghu… · 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 A0A0J9X252
- Every structure of UniProt A0A0J9X253
- Elsewhere: RCSB PDB 5THB · PDBe 5THB · UniProt A0A0J9X252 · UniProt A0A0J9X253
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