MolNFT v1 · #105216 · protein
Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog
4QY2 · Hemagglutinin: “Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog”. X-ray diffraction, 2 ligands (NAG, SIA), 20 pockets (best druggability 0.87). MolNFT v1 #105216 on GenesisL1: 3D structure…
- PDB
- 4QY2
- Type
- protein
- Length
- 2,952 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- Ligands
- NAG, SIA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Hemagglutinin | protein | 318 | 9% helix, 42% strand | — |
| B, D, F, H, J, L | Hemagglutinin | protein | 174 | 56% 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
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains E
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 | 1005 | 0.87 | 0.88 | 112 | empty |
| 2 | 1063 | 0.87 | 0.88 | 114 | empty |
| 3 | 199 | 0.84 | 0.98 | 24 | empty |
| 4 | 194 | 0.84 | 0.97 | 23 | empty |
| 5 | 146 | 0.80 | 0.97 | 39 | empty |
Interfaces
32 interfaces between chains.
- K–L · 3215 Ų buried · 40 hydrogen bonds · protein-protein
- C–D · 3213 Ų buried · 44 hydrogen bonds · protein-protein
- E–F · 3212 Ų buried · 40 hydrogen bonds · protein-protein
- G–H · 3205 Ų buried · 41 hydrogen bonds · protein-protein
- I–J · 3202 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 12 glycan (disulfide, N-glycosylation).
Compared structures
- 4QY2 · Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog · the same entry in another collection · chain H against H, 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 4QY2 · PDBe 4QY2
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