MolNFT v1 · #66559 · protein
The hemagglutinin structure of an avian H1N1 influenza a virus in complex with 2,3-sialyllactose
3HTT: “The hemagglutinin structure of an avian H1N1 influenza a virus in complex with 2,3-sialyllactose”. X-ray diffraction, 5 ligands (NAG, NDG, GLC), 2 pockets (best druggability 0.52). MolNFT v1 #66559 on GenesisL1: 3D structure…
- PDB
- 3HTT
- Type
- protein
- Length
- 484 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Hemagglutinin HA2 chain
- UniProt
- C7C6F1
- Ligands
- NAG, NDG, GLC, GAL, SIA
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 324 | 8% helix, 36% strand | C7C6F1 |
| B | Hemagglutinin HA2 chain | protein | 160 | 50% helix, 17% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.52 | 0.80 | 22 | empty |
| 2 | 61 | 0.41 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2785 Ų buried · 48 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 3HTT · The hemagglutinin structure of an avian H1N1 influenza A virus in complex with… · 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 C7C6F1
- Elsewhere: RCSB PDB 3HTT · PDBe 3HTT · UniProt C7C6F1
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