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Crystal structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8I, 2'DEOXY a-1)

Analyse Crystal structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8I… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BCZ
Type
RNA
Length
61 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*UP*CP*CP*CP*(DA)P*GP*UP*CP*CP*AP*CP*CP*G)- 3')…
Ligands
NCO, SO4
Pockets
3 · best druggability 0.41

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-R(*UP*CP*CP*CP*(DA)P*GP*UP*CP*CP*AP*CP*CP*G)- 3')rna13——
B5'-R(*CP*GP*GP*UP*GP*AP*IP*AP*AP*GP*GP*G)-3'rna12——
C5'- R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3'rna17——
D5'- R(*UP*CP*GP*UP*GP*GP*UP*AP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C) -3'rna19——

Ligands and binding sites

  • NCO · Cobalt hexammine(iii) · ligand · 2 copies · chains A, B, C, D
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11790.410.7415empty
21630.400.7417empty
31690.400.7316empty

Interfaces

6 interfaces between chains.

  • C–D · 881 Ų buried · 66 hydrogen bonds · nucleic-nucleic
  • A–B · 640 Ų buried · 43 hydrogen bonds · nucleic-nucleic
  • A–D · 342 Ų buried · 10 hydrogen bonds · nucleic-nucleic
  • B–C · 202 Ų buried · 8 hydrogen bonds · nucleic-nucleic
  • A–C · 176 Ų buried · 7 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2BCZ · Crystal Structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8I, 2'deoxy A-1) · the same entry in another collection · chain C against C, TM-score 1.00

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