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MolNFT v1 · #9961 · RNA

Structure of the hybrid RNA/DNA R-gcuucggc-D[F]U in presence of IR(NH3)6+++

1ICG · 5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(UFP))-3': “Structure of the hybrid RNA/DNA R-gcuucggc-D[F]U in presence of IR(NH3)6+++”. X-ray diffraction, 2 ligands (IRI, CL), 1 pocket (best druggability 0.27). MolNFT v1 #9961 on GenesisL1: 3D…

PDB
1ICG
Type
RNA
Length
18 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(UFP))-3'
Ligands
IRI, CL
Pockets
1 · best druggability 0.27

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(UFP))-3'rna9——

Ligands and binding sites

  • IRI · Iridium hexammine ion · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.270.7311CL

Interfaces

1 interface between chains.

  • A–B · 360 Ų buried · 28 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 1ICG · Structure of the hybrid RNA/DNA R-gcuucggc-D[F]U in presence of IR(NH3)6+++ · the same entry in another collection · chain A against A, TM-score 1.00

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