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Phenolic acid derivative bound to influenza strain H1N1 polymerase subunit PA endonuclease

Analyse Phenolic acid derivative bound to influenza strain H1N1 polymerase subunit PA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4YYL
Type: protein
Length: 181 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.905
Source: Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)
Molecule: Polymerase acidic protein
UniProt: P03433
Ligands: 4KN, MN, SO4
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · resolution 1.905 · 1 distinct chain · 54% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polymerase acidic protein	protein	181	54% helix, 13% strand	P03433

Ligands and binding sites

4KN · 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone · ligand · 3 copies · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	535	0.68	0.78	46	4KN, MN

Compared structures

4YYL · Phenolic acid derivative bound to influenza strain H1N1 polymerase subunit pa endonuclease · 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 P03433
Elsewhere: RCSB PDB 4YYL · PDBe 4YYL · UniProt P03433

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