MolNFT v1 · #91024 · protein
Molecular basis of infectivity of 2009 pandemic H1N1 influenza a viruses
4F15 · Hemagglutinin: “Molecular basis of infectivity of 2009 pandemic H1N1 influenza a viruses”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #91024 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4F15
- Type
- protein
- Length
- 2,606 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Fab fragment, heavy chain; Fab fragment, light chain
- UniProt
- C5MQE6
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 6 distinct chains · 10% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 234 | 12% helix, 25% strand | C5MQE6 |
| B, E, H, K | Fab fragment, heavy chain | protein | 208 | 3% helix, 44% strand | — |
| C, F, I, L | Fab fragment, light chain | protein | 203 | 0% helix, 26% strand | — |
| D | Hemagglutinin | protein | 246 | 14% helix, 25% strand | C5MQE6 |
| G | Hemagglutinin | protein | 227 | 10% helix, 24% strand | C5MQE6 |
| J | Hemagglutinin | protein | 255 | 16% helix, 22% strand | C5MQE6 |
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 | 548 | 0.82 | 0.88 | 61 | empty |
| 2 | 967 | 0.81 | 0.83 | 106 | empty |
| 3 | 425 | 0.80 | 0.88 | 40 | empty |
| 4 | 891 | 0.79 | 0.82 | 79 | empty |
| 5 | 141 | 0.78 | 0.95 | 29 | empty |
Interfaces
23 interfaces between chains.
- B–C · 1722 Ų buried · 14 hydrogen bonds · protein-protein
- H–I · 1717 Ų buried · 17 hydrogen bonds · protein-protein
- K–L · 1690 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 1649 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 678 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 disulfide (disulfide).
Compared structures
- 4F15 · Molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses · 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 C5MQE6
- Elsewhere: RCSB PDB 4F15 · PDBe 4F15 · UniProt C5MQE6
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