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Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in MG2+

Analyse Two divalent metal ions and conformational changes play roles in the hammerhead… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DH6
Type
RNA
Length
68 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hammerhead ribozyme; 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)…
Ligands
MG
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
AHammerhead ribozymerna48——
B5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)- R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3'rna20——

Ligands and binding sites

  • MG · Magnesium ion · metal · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12860.510.7519MG
21220.330.7214empty
31110.330.7314MG

Interfaces

1 interface between chains.

  • A–B · 938 Ų buried · 73 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5DH6 · Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme… · the same entry in another collection · chain A against A, TM-score 1.00

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