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Influenza a (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Analyse Influenza a (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4P1U
- Type
- protein
- Length
- 158 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase basic protein 2
- UniProt
- P31345
- Ligands
- 21G
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase basic protein 2 | protein | 158 | 23% helix, 42% strand | P31345 |
Ligands and binding sites
- 21G · (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.43 | 0.77 | 17 | 21G |
Compared structures
- 4P1U · Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole… · 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 P31345
- Elsewhere: RCSB PDB 4P1U · PDBe 4P1U · UniProt P31345
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