MolNFT v1 · #138291 · protein
Crystal structure of the influenza virus pa endonuclease (F105S mutant) in complex with inhibitor 7A (sri-29770)
5WEF · Polymerase acidic protein: “Crystal structure of the influenza virus pa endonuclease (F105S mutant) in complex with inhibitor 7A…”. X-ray diffraction, 3 ligands (GY6, MN, NA), 1 pocket (best druggability 0.61). MolNFT v1 #138291 on…
- PDB
- 5WEF
- 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
- GY6, MN, NA
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 178 | 52% helix, 13% strand | C3W5S0 |
Ligands and binding sites
- GY6 · 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide · ligand · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 3 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 | 446 | 0.61 | 0.76 | 47 | MN, GY6, NA |
Compared structures
- 5WEF · Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with… · 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 5WEF · PDBe 5WEF · UniProt C3W5S0
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