MolNFT v1 · #53340 · protein
Structure of H2 avian jena hemagglutinin with human receptor
2WRF: “Structure of H2 avian jena hemagglutinin with human receptor”. X-ray diffraction, 2 ligands (SIA, GAL), 20 pockets (best druggability 0.89). MolNFT v1 #53340 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WRF
- Type
- protein
- Length
- 4,374 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- Q67326
- Ligands
- SIA, GAL
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Hemagglutinin | protein | 486 | 18% helix, 23% strand | Q67326 |
Ligands and binding sites
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains F, D
- GAL · beta-D-galactopyranose · sugar · chains F
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 | 535 | 0.89 | 0.95 | 62 | empty |
| 2 | 309 | 0.86 | 0.95 | 36 | empty |
| 3 | 214 | 0.84 | 0.97 | 22 | empty |
| 4 | 1174 | 0.83 | 0.84 | 127 | empty |
| 5 | 170 | 0.82 | 0.96 | 29 | empty |
Interfaces
13 interfaces between chains.
- E–F · 2556 Ų buried · 35 hydrogen bonds · protein-protein
- B–C · 2486 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 2464 Ų buried · 31 hydrogen bonds · protein-protein
- D–F · 2459 Ų buried · 35 hydrogen bonds · protein-protein
- D–E · 2431 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 53 disulfide (disulfide).
Compared structures
- 2WRF · structure of H2 avian jena hemagglutinin with human receptor · 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 Q67326
- Elsewhere: RCSB PDB 2WRF · PDBe 2WRF · UniProt Q67326
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