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MolNFT v1 · #148029 · protein

Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1 polymerase bound to an azaindazole inhibitor

6EUW · Polymerase basic protein 2: “Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1 polymerase bound to an…”. X-ray diffraction, 1 ligand (BYB), 1 pocket (best druggability 0.53). MolNFT v1 #148029 on…

PDB
6EUW
Type
protein
Length
156 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polymerase basic protein 2
UniProt
Q2LG68
Ligands
BYB
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolymerase basic protein 2protein15623% helix, 43% strandQ2LG68

Ligands and binding sites

  • BYB · (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid · ligand · chains A
  • GOL · Glycerol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11480.530.8020BYB

Compared structures

  • 6EUW · Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1… · the same entry in another collection · chain A against A, TM-score 1.00

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