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MolNFT v1 · #117525 · RNA

Two active site divalent ion in the crystal structure of the hammerhead ribozyme bound to a transition state analog-MG2+

5EAO · RNA (48-mer): “Two active site divalent ion in the crystal structure of the hammerhead ribozyme bound to a transition state…”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.54). MolNFT v1 #117525 on GenesisL1: 3D…

PDB
5EAO
Type
RNA
Length
68 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (48-mer); RNA (5'-R(*GP*GP*GP*CP*GP*U*(CVC)…
Ligands
MG
Pockets
3 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA (48-mer)rna48——
BRNA (5'-R(*GP*GP*GP*CP*GP*U*(CVC) *UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3')rna20——

Ligands and binding sites

  • MG · Magnesium ion · metal · 8 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
14020.540.7431MG
2900.290.7213MG
3630.250.729empty

Interfaces

1 interface between chains.

  • A–B · 958 Ų buried · 67 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 5EAO · Two active site divalent ion in the crystal structure of the hammerhead ribozyme bound to… · the same entry in another collection · chain A against A, TM-score 1.00

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