MolNFT v1 · #53336 · protein
The structure of influenza H2 human singapore hemagglutinin with avian receptor
2WRB: “The structure of influenza H2 human singapore hemagglutinin with avian receptor”. X-ray diffraction, 1 ligand (SIA), 20 pockets (best druggability 0.84). MolNFT v1 #53336 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WRB
- Type
- protein
- Length
- 1,401 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- Ligands
- SIA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 474 | 24% helix, 29% strand | — |
| B | Hemagglutinin | protein | 486 | 24% helix, 29% strand | — |
| C | Hemagglutinin | protein | 441 | 24% helix, 29% strand | — |
Ligands and binding sites
- 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
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.84 | 0.98 | 24 | empty |
| 2 | 1129 | 0.81 | 0.82 | 116 | empty |
| 3 | 319 | 0.73 | 0.86 | 43 | empty |
| 4 | 447 | 0.72 | 0.82 | 64 | empty |
| 5 | 374 | 0.72 | 0.84 | 54 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2573 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 2557 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 2519 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide, 1 glycan (disulfide, glycosylation).
Compared structures
- 2WRB · the structure of influenza H2 human singapore hemagglutinin with avian 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
- Elsewhere: RCSB PDB 2WRB · PDBe 2WRB
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