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Dsrna recognition by R38AK41A mutant of H7N1 NS1 RNA binding domain

Analyse Dsrna recognition by R38AK41A mutant of H7N1 NS1 RNA binding domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SX2
Type
protein + RNA
Length
182 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 1; RNA (5'- R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*C…
UniProt
Q1PST0
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNon-structural protein 1protein7285% helix, 0% strandQ1PST0
C, DRNA (5'- R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*CP*C)-3')rna19——

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17320.740.8046EDO
2560.690.9713EDO
3500.680.9712empty

Interfaces

6 interfaces between chains.

  • A–B · 1225 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 883 Ų buried · 86 hydrogen bonds · nucleic-nucleic
  • A–C · 337 Ų buried · 1 hydrogen bond · protein-nucleic
  • B–D · 328 Ų buried · 0 hydrogen bonds · protein-nucleic
  • A–D · 287 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 6SX2 · dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain · the same entry in another collection · chain A against A, TM-score 1.00

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