MolNFT v1 · #105214 · protein
Structure of H10 from human-infecting H10N8
4QY0 · Hemagglutinin: “Structure of H10 from human-infecting H10N8”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.87). MolNFT v1 #105214 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QY0
- Type
- protein
- Length
- 2,952 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Hemagglutinin | protein | 318 | 9% helix, 45% strand | — |
| B, D, F, H, J, L | Hemagglutinin | protein | 174 | 57% helix, 13% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, E, B, C, D, F, G, K, H, I, J, L
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 | 1022 | 0.87 | 0.88 | 117 | empty |
| 2 | 1120 | 0.87 | 0.88 | 147 | empty |
| 3 | 203 | 0.84 | 0.97 | 25 | empty |
| 4 | 190 | 0.84 | 0.97 | 23 | empty |
| 5 | 153 | 0.81 | 0.98 | 35 | empty |
Interfaces
32 interfaces between chains.
- C–D · 3253 Ų buried · 43 hydrogen bonds · protein-protein
- I–J · 3227 Ų buried · 48 hydrogen bonds · protein-protein
- K–L · 3223 Ų buried · 40 hydrogen bonds · protein-protein
- E–F · 3204 Ų buried · 39 hydrogen bonds · protein-protein
- G–H · 3192 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 12 glycan (disulfide, N-glycosylation).
Compared structures
- 4QY0 · Structure of H10 from human-infecting H10N8 · 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
- Elsewhere: RCSB PDB 4QY0 · PDBe 4QY0
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