MolNFT v1 · #138123 · protein
Crystal structure of the influenza virus pa endonuclease in complex with an inhibitor - sri-30049
5W92 · Polymerase acidic protein: “Crystal structure of the influenza virus pa endonuclease in complex with an inhibitor - sri-30049”. X-ray diffraction, 3 ligands (KU0, 9HD, MN), 1 pocket (best druggability 0.68). MolNFT v1 #138123 on…
- PDB
- 5W92
- Type
- protein
- Length
- 178 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- UniProt
- C3W5S0
- Ligands
- KU0, 9HD, MN
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 178 | 53% helix, 13% strand | C3W5S0 |
Ligands and binding sites
- KU0 · 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide · ligand · chains A
- 9HD · 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl) nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one · ligand · chains A
- MN · Manganese (II) ion · metal · 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 | 506 | 0.68 | 0.78 | 44 | MN, KU0 |
Compared structures
- 5W92 · Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor… · 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 5W92 · PDBe 5W92 · UniProt C3W5S0
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