MolNFT v1 · #157399 · protein
Crystal structure of hemagglutinin from influenza virus A/TEXAS/1/1977 (H3N2)
6MXU: “Crystal structure of hemagglutinin from influenza virus A/TEXAS/1/1977 (H3N2)”. X-ray diffraction, 2 ligands (NAG, BMA), 19 pockets (best druggability 0.85). MolNFT v1 #157399 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6MXU
- Type
- protein
- Length
- 1,462 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- H9XIU5
- Ligands
- NAG, BMA
- Pockets
- 19 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 486 | 25% helix, 31% strand | H9XIU5 |
| B | Hemagglutinin | protein | 488 | 25% helix, 31% strand | H9XIU5 |
| C | Hemagglutinin | protein | 488 | 25% helix, 32% strand | H9XIU5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 27 copies · chains A, C, B
- BMA · beta-D-mannopyranose · sugar · 3 copies · chains C, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.85 | 0.95 | 33 | empty |
| 2 | 362 | 0.74 | 0.85 | 57 | empty |
| 3 | 563 | 0.73 | 0.81 | 70 | empty |
| 4 | 637 | 0.72 | 0.79 | 61 | empty |
| 5 | 496 | 0.71 | 0.80 | 58 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2187 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 2167 Ų buried · 38 hydrogen bonds · protein-protein
- B–C · 2163 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 glycan, 15 disulfide (N-glycosylation, disulfide).
Compared structures
- 6MXU · Crystal structure of hemagglutinin from influenza virus A/Texas/1/1977 (H3N2) · 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 H9XIU5
- Elsewhere: RCSB PDB 6MXU · PDBe 6MXU · UniProt H9XIU5
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