Research workbench
Structure of avian H5 haemagglutinin complexed with lsta receptro analog
Analyse Structure of avian H5 haemagglutinin complexed with lsta receptro analog in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JSN
- Type
- protein
- Length
- 481 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haemagglutinin (HA1 chain); Haemagglutinin (HA2 chain)
- UniProt
- A5Z226
- Ligands
- NAG, GAL, SIA
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haemagglutinin (HA1 chain) | protein | 321 | 10% helix, 40% strand | A5Z226 |
| B | Haemagglutinin (HA2 chain) | protein | 160 | 51% helix, 14% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · chains A
- 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
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 | 297 | 0.61 | 0.79 | 47 | empty |
| 2 | 61 | 0.41 | 0.81 | 16 | empty |
| 3 | 89 | 0.33 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2429 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 1JSN · Structure of avian H5 haemagglutinin complexed with lsta receptro analog · 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 A5Z226
- Elsewhere: RCSB PDB 1JSN · PDBe 1JSN · UniProt A5Z226
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