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MolNFT v1 · #144919 · RNA

RNA-activated 2-aipg monomer complex, 2H soaking

6C8N · RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)…: “RNA-activated 2-aipg monomer complex, 2H soaking”. X-ray diffraction, 3 ligands (EQ4, EQ1, MG), 1 pocket (best druggability 0.52). MolNFT v1 #144919 on GenesisL1: 3D structure, binding sites…

PDB
6C8N
Type
RNA
Length
30 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG) P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3')
Ligands
EQ4, EQ1, MG
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG) P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3')rna15——

Ligands and binding sites

  • EQ4 · 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy) phosphoryl]guanosine · ligand · 2 copies · chains A, B
  • EQ1 · [2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methoxy]phosphinic acid · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 4 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
13930.520.7321empty

Interfaces

1 interface between chains.

  • A–B · 694 Ų buried · 60 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 8 modified, 2 covalent (nucleotide modification, covalent ligand).

Compared structures

  • 6C8N · RNA-activated 2-AIpG monomer complex, 2h soaking · the same entry in another collection · chain A against A, TM-score 1.00

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