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Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2

Analyse Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LQ9
Type
protein
Length
501 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-dependent RNA-polymerase
UniProt
Q2N379
Ligands
21D, MG
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA-dependent RNA-polymeraseprotein50142% helix, 17% strandQ2N379

Ligands and binding sites

  • 21D · naphthalene-1,5-disulfonic acid · ligand · 2 copies · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17290.710.786821D
22880.580.7741empty
3730.360.7718empty
4620.330.7715empty

Compared structures

  • 4LQ9 · Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2 · the same entry in another collection · chain A against A, TM-score 1.00

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