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Crystal structures and functional analysis of murine norovirus RNA- dependent RNA polymerase

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

PDB
3NAH
Type
protein
Length
1,456 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA dependent RNA polymerase
UniProt
Q80J95
Ligands
SO4
Pockets
20 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA dependent RNA polymeraseprotein48642% helix, 17% strandQ80J95
B, CRNA dependent RNA polymeraseprotein48540% helix, 16% strandQ80J95

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110600.720.76108empty
26130.700.7870empty
34630.650.7851empty
43120.610.7849empty
53040.550.7544empty

Interfaces

2 interfaces between chains.

  • B–C · 1234 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 621 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3NAH · Crystal structures and functional analysis of murine norovirus RNA-dependent RNA… · the same entry in another collection · chain A against A, TM-score 1.00

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