Research workbench
The structure of influenza H2 human singapore hemagglutinin with human receptor
Analyse The structure of influenza H2 human singapore hemagglutinin with human receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WR7
- Type
- protein
- Length
- 1,426 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- B4UR26
- Ligands
- GAL, NAG, SIA
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 473 | 24% helix, 30% strand | B4UR26 |
| B | Hemagglutinin | protein | 486 | 23% helix, 31% strand | B4UR26 |
| C | Hemagglutinin | protein | 467 | 22% helix, 29% strand | B4UR26 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar
- 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, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.81 | 0.97 | 24 | empty |
| 2 | 1149 | 0.77 | 0.79 | 91 | empty |
| 3 | 337 | 0.75 | 0.86 | 47 | empty |
| 4 | 310 | 0.74 | 0.87 | 40 | empty |
| 5 | 332 | 0.74 | 0.86 | 45 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2467 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 2441 Ų buried · 35 hydrogen bonds · protein-protein
- B–C · 2410 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 2WR7 · the structure of influenza H2 human singapore 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 B4UR26
- Elsewhere: RCSB PDB 2WR7 · PDBe 2WR7 · UniProt B4UR26
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