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Ternary rsago complex with guide RNA and target DNA containing G-a non-canonical pair

Analyse Ternary rsago complex with guide RNA and target DNA containing G-a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D9L
Type
protein + DNA + RNA
Length
1,591 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein; RNA (5'- R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A…
UniProt
A4WYU7
Ligands
MG
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 4 distinct chains · 31% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FUncharacterized proteinprotein75831% helix, 28% strandA4WYU7
C, HRNA (5'- R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3')rna18——
GDNA (5'- D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3')dna19——
JDNA (5'- D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3')dna20——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, C, F, H

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110830.850.8792empty
28860.840.8679empty
31680.780.9422empty
41300.760.9524empty
58770.750.7942empty

Interfaces

7 interfaces between chains.

  • A–C · 1944 Ų buried · 55 hydrogen bonds · protein-nucleic
  • F–H · 1885 Ų buried · 52 hydrogen bonds · protein-nucleic
  • A–G · 1831 Ų buried · 21 hydrogen bonds · protein-nucleic
  • F–J · 1802 Ų buried · 24 hydrogen bonds · protein-nucleic
  • H–J · 815 Ų buried · 67 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6D9L · Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair · the same entry in another collection · chain A against A, TM-score 1.00

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