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Crystal structure of double-stranded RNA with four terminal gu wobble base pairs

Analyse Crystal structure of double-stranded RNA with four terminal gu wobble base pairs in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PCO
Type
RNA
Length
50 nucleotides
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (5'-D(*GP*GP*UP*GP*GP*CP*UP*GP*UP*U)-3')
Ligands
NCO, CL
Pockets
2 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, ERNA (5'-D(*GP*GP*UP*GP*GP*CP*UP*GP*UP*U)-3')rna10——

Ligands and binding sites

  • NCO · Cobalt hexammine(iii) · ligand · 12 copies · chains A, B, C, D, E
  • CL · Chloride ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.340.7212NCO
21200.320.7221CL, NCO

Interfaces

6 interfaces between chains.

  • C–D · 499 Ų buried · 44 hydrogen bonds · nucleic-nucleic
  • A–B · 490 Ų buried · 44 hydrogen bonds · nucleic-nucleic
  • B–C · 89 Ų buried · 5 hydrogen bonds · nucleic-nucleic
  • A–C · 80 Ų buried · 3 hydrogen bonds · nucleic-nucleic
  • A–E · 77 Ų buried · 1 hydrogen bond · nucleic-nucleic

Compared structures

  • 4PCO · Crystal structure of double-stranded RNA with four terminal GU wobble base pairs · the same entry in another collection · chain A against A, TM-score 1.00

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