MolNFT v1 · #109113 · protein
The crystal structure of hemagglutinin form A/CHICKEN/NEW YORK/14677- 13/1998 in complex with lsta
4WSS: “The crystal structure of hemagglutinin form A/CHICKEN/NEW YORK/14677- 13/1998 in complex with lsta”. X-ray diffraction, 3 ligands (NAG, GAL, SIA), 20 pockets (best druggability 0.81). MolNFT v1 #109113 on GenesisL1: 3D structure…
- PDB
- 4WSS
- Type
- protein
- Length
- 2,914 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- Q0A3A5
- Ligands
- NAG, GAL, SIA
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 490 | 26% helix, 32% strand | Q0A3A5 |
| B | Hemagglutinin | protein | 481 | 25% helix, 32% strand | Q0A3A5 |
| C | Hemagglutinin | protein | 482 | 25% helix, 32% strand | Q0A3A5 |
| E | Hemagglutinin | protein | 489 | 26% helix, 32% strand | Q0A3A5 |
| D | Hemagglutinin | protein | 493 | 25% helix, 31% strand | Q0A3A5 |
| F | Hemagglutinin | protein | 479 | 25% helix, 32% strand | Q0A3A5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, F, B, C, E, D
- GAL · beta-D-galactopyranose · sugar · 3 copies · chains C, E, F
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 3 copies · chains C, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.81 | 0.84 | 91 | empty |
| 2 | 127 | 0.80 | 0.98 | 22 | empty |
| 3 | 137 | 0.79 | 0.97 | 24 | empty |
| 4 | 825 | 0.77 | 0.81 | 73 | empty |
| 5 | 925 | 0.74 | 0.78 | 91 | empty |
Interfaces
8 interfaces between chains.
- E–F · 2172 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 2170 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2141 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 2103 Ų buried · 27 hydrogen bonds · protein-protein
- D–F · 2088 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 9 glycan (disulfide, N-glycosylation).
Compared structures
- 4WSS · The crystal structure of hemagglutinin form A/chicken/New York/14677-13/1998 in complex… · 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 Q0A3A5
- Elsewhere: RCSB PDB 4WSS · PDBe 4WSS · UniProt Q0A3A5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.