MolNFT v1 · #137948 · protein
Crystal structure of the influenza virus pa endonuclease in complex with inhibitor 7A (sri-29770)
5W44 · Polymerase acidic protein: “Crystal structure of the influenza virus pa endonuclease in complex with inhibitor 7A (sri-29770)”. X-ray diffraction, 4 ligands (GY6, MN, MG), 1 pocket (best druggability 0.62). MolNFT v1 #137948 on…
- PDB
- 5W44
- Type
- protein
- Length
- 178 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- EC
- 3.1.-.-
- UniProt
- C3W5S0
- Ligands
- GY6, MN, MG, NA
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein (EC 3.1.-.-) | 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 · chains A
- MG · Magnesium ion · metal · chains A
- NA · Sodium ion · metal · 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 | 487 | 0.62 | 0.76 | 45 | GY6, MG, NA |
Compared structures
- 5W44 · Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7a… · 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 5W44 · PDBe 5W44 · UniProt C3W5S0
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