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Structural insigths into dsrna binding and RNA silencing suppression by NS3 protein of rice hoja blanca tenuivirus

Analyse Structural insigths into dsrna binding and RNA silencing suppression by NS3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AJF
Type
protein
Length
363 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 3
UniProt
Q67897
Ligands
SO4
Pockets
3 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 65% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNon-structural protein 3protein9263% helix, 4% strandQ67897
CNon-structural protein 3protein8965% helix, 0% strandQ67897
DNon-structural protein 3protein9067% helix, 0% strandQ67897

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, C, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19070.810.8381SO4
2880.640.9012empty
3620.280.7315empty

Interfaces

6 interfaces between chains.

  • B–C · 1049 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 1037 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 525 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 489 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 69 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 4 disulfide (engineered, disulfide).

Compared structures

  • 3AJF · Structural insigths into dsRNA binding and RNA silencing suppression by NS3 protein of… · the same entry in another collection · chain A against A, TM-score 1.00

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