MolNFT v1 · #53342 · protein
Structure of H1 duck albert hemagglutinin with human receptor
2WRH · Hemagglutinin HA1 chain: “Structure of H1 duck albert hemagglutinin with human receptor”. X-ray diffraction, 1 ligand (SIA), 11 pockets (best druggability 0.83). MolNFT v1 #53342 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2WRH
- Type
- protein
- Length
- 1,446 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- UniProt
- Q9WCE0
- Ligands
- SIA
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, J, L | Hemagglutinin HA1 chain | protein | 322 | 9% helix, 39% strand | Q9WCE0 |
| I, K, M | Hemagglutinin HA2 chain | protein | 160 | 53% helix, 13% strand | Q9WCE0 |
Ligands and binding sites
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 3 copies · chains H, J, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.83 | 0.96 | 21 | empty |
| 2 | 922 | 0.83 | 0.84 | 126 | empty |
| 3 | 183 | 0.78 | 0.93 | 26 | empty |
| 4 | 269 | 0.75 | 0.88 | 48 | empty |
| 5 | 276 | 0.74 | 0.88 | 48 | empty |
Interfaces
15 interfaces between chains.
- H–I · 2717 Ų buried · 39 hydrogen bonds · protein-protein
- J–K · 2708 Ų buried · 42 hydrogen bonds · protein-protein
- L–M · 2662 Ų buried · 36 hydrogen bonds · protein-protein
- I–K · 1412 Ų buried · 17 hydrogen bonds · protein-protein
- K–M · 1388 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 2WRH · structure of H1 duck albert hemagglutinin with human receptor · 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
- Every structure of UniProt Q9WCE0
- Elsewhere: RCSB PDB 2WRH · PDBe 2WRH · UniProt Q9WCE0
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