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Crystal structure of polymerase acid protein (pa) from influenza a virus, wilson-SMITH/1933 (H1N1) bound to ebsi-39 (2,3- DICHLOROPHENYL)METHANOL

Analyse Crystal structure of polymerase acid protein (pa) from influenza a virus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5IF5
Type
protein
Length
408 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polymerase acidic protein
UniProt
P15659
Ligands
6B0
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolymerase acidic proteinprotein40846% helix, 19% strandP15659

Ligands and binding sites

  • 6B0 · (2,3-dichlorophenyl)methanol · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.650.8335DMS, EDO
2570.410.8115empty
31250.380.7427empty
41180.380.7417empty
5720.360.76106B0

Compared structures

  • 5IF5 · Crystal structure of polymerase acid protein (PA) from Influenza A virus… · the same entry in another collection · chain A against A, TM-score 1.00

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