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MolNFT v1 · #103481 · RNA

Functional conservation despite structural divergence in ligand- responsive RNA switches

4PHY · RNA (26-mer): “Functional conservation despite structural divergence in ligand- responsive RNA switches”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.59). MolNFT v1 #103481 on GenesisL1: 3D structure, binding…

PDB
4PHY
Type
RNA
Length
46 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (26-mer); RNA (5'- R(*GP*CP*AP*GP*GP*AP*AP*CP*CP*GP*AP*GP*AP*GP*GP*CP*AP*CP*GP*C)-3')
Ligands
MG
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA (26-mer)rna26——
BRNA (5'- R(*GP*CP*AP*GP*GP*AP*AP*CP*CP*GP*AP*GP*AP*GP*GP*CP*AP*CP*GP*C)-3')rna20——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15040.590.7427ACT

Interfaces

1 interface between chains.

  • A–B · 999 Ų buried · 106 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4PHY · Functional conservation despite structural divergence in ligand-responsive RNA switches · the same entry in another collection · chain A against A, TM-score 1.00

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