MolNFT v1 · #107826 · protein
Structure of the A_CANINE_COLORADO_17864_06 H3 haemagglutinin in complex with sialyl lewis X
4UO6 · H3 haemagglutinin HA1 chain: “Structure of the A_CANINE_COLORADO_17864_06 H3 haemagglutinin in complex with sialyl lewis X”. X-ray diffraction, 7 ligands (NAG, BMA, MAN), 4 pockets (best druggability 0.64). MolNFT v1 #107826 on…
- PDB
- 4UO6
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H3 haemagglutinin HA1 chain; H3 haemagglutinin HA2 chain
- UniProt
- E0UVR5
- Ligands
- NAG, BMA, MAN, GAL, SIA, FUC, SO4
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H3 haemagglutinin HA1 chain | protein | 319 | 10% helix, 41% strand | E0UVR5 |
| B | H3 haemagglutinin HA2 chain | protein | 175 | 49% helix, 14% strand | E0UVR5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
- MAN · alpha-D-mannopyranose · sugar · 2 copies
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
- FUC · alpha-L-fucopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.64 | 0.94 | 17 | empty |
| 2 | 80 | 0.56 | 0.87 | 20 | empty |
| 3 | 175 | 0.44 | 0.75 | 27 | empty |
| 4 | 76 | 0.32 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2986 Ų buried · 44 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 4UO6 · Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with Sialyl… · 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 E0UVR5
- Elsewhere: RCSB PDB 4UO6 · PDBe 4UO6 · UniProt E0UVR5
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