MolNFT v1 · #93457 · protein
The crystal structure of the hemagglutinin H17 derived the bat influenza a virus
4H32: “The crystal structure of the hemagglutinin H17 derived the bat influenza a virus”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.86). MolNFT v1 #93457 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4H32
- Type
- protein
- Length
- 2,943 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- H6QM93
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Hemagglutinin | protein | 320 | 8% helix, 40% strand | H6QM93 |
| B | Hemagglutinin | protein | 168 | 53% helix, 10% strand | H6QM93 |
| D, F, H, J, L | Hemagglutinin | protein | 171 | 56% helix, 13% strand | H6QM93 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, C, E, G, H, I, K
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 | 273 | 0.86 | 0.97 | 33 | empty |
| 2 | 248 | 0.86 | 0.97 | 32 | empty |
| 3 | 1120 | 0.86 | 0.86 | 100 | empty |
| 4 | 743 | 0.85 | 0.88 | 67 | empty |
| 5 | 108 | 0.79 | 0.98 | 21 | empty |
Interfaces
31 interfaces between chains.
- E–F · 3067 Ų buried · 45 hydrogen bonds · protein-protein
- A–B · 3062 Ų buried · 42 hydrogen bonds · protein-protein
- I–J · 3048 Ų buried · 39 hydrogen bonds · protein-protein
- C–D · 3043 Ų buried · 47 hydrogen bonds · protein-protein
- G–H · 3034 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 9 glycan (disulfide, N-glycosylation).
Compared structures
- 4H32 · The crystal structure of the hemagglutinin H17 derived the bat influenza A virus · 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 H6QM93
- Elsewhere: RCSB PDB 4H32 · PDBe 4H32 · UniProt H6QM93
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