MolNFT v1 · #87161 · protein
H7N3 avian influenza virus haemagglutinin in complex with avian receptor analogue 3'-sln
4BSI · Hemagglutinin: “H7N3 avian influenza virus haemagglutinin in complex with avian receptor analogue 3'-sln”. X-ray diffraction, 4 ligands (NAG, GAL, SIA), 3 pockets (best druggability 0.65). MolNFT v1 #87161 on GenesisL1: 3D…
- PDB
- 4BSI
- Type
- protein
- Length
- 486 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- G0KQM4
- Ligands
- NAG, GAL, SIA, SO4
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 316 | 9% helix, 40% strand | G0KQM4 |
| B | Hemagglutinin | protein | 170 | 54% helix, 13% strand | G0KQM4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
- SO4 · Sulfate ion · ion · 12 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.65 | 0.82 | 25 | empty |
| 2 | 105 | 0.47 | 0.80 | 22 | SO4 |
| 3 | 51 | 0.28 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 3198 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 4BSI · H7N3 Avian Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN · 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 G0KQM4
- Elsewhere: RCSB PDB 4BSI · PDBe 4BSI · UniProt G0KQM4
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