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Structural basis on the interaction of scribble PDZ domains with the tick born encephalitis virus (tbev) NS5 protein

Analyse Structural basis on the interaction of scribble PDZ domains with the tick born… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7QS9
Type
protein
Length
192 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein scribble homolog; RNA-directed RNA polymerase NS5
EC
2.1.1.56, 2.1.1.57, 2.7.7.48
UniProt
Q14160, Q01299
Pockets
2 · best druggability 0.40

Structure

x-ray diffraction · 3 distinct chains · 14% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein scribble homologprotein9214% helix, 41% strandQ14160
BProtein scribble homologprotein9016% helix, 42% strandQ14160
C, ERNA-directed RNA polymerase NS5 (EC 2.1.1.56, 2.1.1.57, 2.7.7.48)protein50% helix, 60% strandQ01299

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1780.400.7815empty
2500.250.7315empty

Interfaces

3 interfaces between chains.

  • A–B · 466 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 410 Ų buried · 10 hydrogen bonds · protein-protein
  • B–E · 408 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7QS9 · Structural basis on the interaction of Scribble PDZ domains with the Tick Born… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14160 · AlphaFold monomer V2.0 prediction for protein scribble homolog (Q14160) · a predicted model of the same protein · chain B against A, TM-score 0.97

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