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The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
Analyse The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7N8F
- Type
- protein
- Length
- 180 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.35
- Source
- Influenza A virus (strain swl A/California/04/2009 H1N1)
- Molecule
- Polymerase acidic protein
- EC
- 3.1.-.-
- UniProt
- C3W5S0
- Ligands
- QQ4, R3J, MN, SO4
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · resolution 2.35 · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein (EC 3.1.-.-) | protein | 180 | 53% helix, 13% strand | C3W5S0 |
Ligands and binding sites
- QQ4 · Hexa Vinylpyrrolidone K15 · ligand · chains A
- R3J · Benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl) ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl) propan-2-yl]carbamate · ligand · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.64 | 0.78 | 48 | MN, R3J |
Compared structures
- 7N8F · The crystal structure of I38T mutant pa endonuclease (2009/H1N1/CALIFORNIA) 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 C3W5S0
- Elsewhere: RCSB PDB 7N8F · PDBe 7N8F · UniProt C3W5S0
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