MolNFT v1 · #66556 · protein
The hemagglutinin structure of an avian H1N1 influenza a virus in complex with lstc
3HTQ: “The hemagglutinin structure of an avian H1N1 influenza a virus in complex with lstc”. X-ray diffraction, 4 ligands (NAG, NDG, GAL), 3 pockets (best druggability 0.53). MolNFT v1 #66556 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3HTQ
- 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, GAL, SIA
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 324 | 8% helix, 38% strand | C7C6F1 |
| B | Hemagglutinin HA2 chain | protein | 160 | 50% helix, 16% 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
- 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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.53 | 0.80 | 22 | empty |
| 2 | 89 | 0.42 | 0.79 | 24 | empty |
| 3 | 53 | 0.33 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2787 Ų buried · 49 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 3HTQ · the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTc · 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 3HTQ · PDBe 3HTQ · UniProt C7C6F1
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