MolNFT v1 · #55585 · protein
Haemagglutinin of 2004 human H3N2 virus in complex with human receptor analogue 6SLN
2YP3 · Hemagglutinin: “Haemagglutinin of 2004 human H3N2 virus in complex with human receptor analogue 6SLN”. X-ray diffraction, 5 ligands (TAM, NAG, MAN), 4 pockets (best druggability 0.56). MolNFT v1 #55585 on GenesisL1: 3D structure…
- PDB
- 2YP3
- Type
- protein
- Length
- 491 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- A0FCI1
- Ligands
- TAM, NAG, MAN, GAL, SIA
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 491 | 25% helix, 31% strand | A0FCI1 |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A
- MAN · alpha-D-mannopyranose · sugar
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A
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 | 0.56 | 0.89 | 17 | empty |
| 2 | 131 | 0.54 | 0.82 | 27 | empty |
| 3 | 125 | 0.41 | 0.75 | 19 | empty |
| 4 | 63 | 0.26 | 0.72 | 16 | empty |
Modifications
Observed in the structure: 6 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 2YP3 · Haemagglutinin of 2004 Human H3N2 Virus in Complex with Human Receptor Analogue 6SLN · 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 A0FCI1
- Elsewhere: RCSB PDB 2YP3 · PDBe 2YP3 · UniProt A0FCI1
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