MolNFT v1 · #178896 · protein
Crystal structure of a refolded head domain hemagglutinin ha from influenza a virus A/FORT MONMOUTH/1/1947
7JP4: “Crystal structure of a refolded head domain hemagglutinin ha from influenza a virus A/FORT MONMOUTH/1/1947”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #178896 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7JP4
- Type
- protein
- Length
- 411 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- Q20MG8
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 204 | 13% helix, 41% strand | Q20MG8 |
| B | Hemagglutinin | protein | 207 | 12% helix, 40% strand | Q20MG8 |
Ligands and binding sites
- MPO · 3[N-morpholino]propane sulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.69 | 0.78 | 66 | empty |
| 2 | 51 | 0.34 | 0.78 | 14 | empty |
| 3 | 68 | 0.32 | 0.75 | 17 | MPO |
| 4 | 52 | 0.27 | 0.74 | 16 | MPO |
Interfaces
1 interface between chains.
- A–B · 456 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7JP4 · Crystal structure of a refolded head domain hemagglutinin HA from Influenza A virus… · 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 Q20MG8
- Elsewhere: RCSB PDB 7JP4 · PDBe 7JP4 · UniProt Q20MG8
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