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MolNFT v1 · #181191 · RNA

Tna modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')PPP(5')G

7LNG · RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)…: “Tna modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')PPP(5')G”. X-ray diffraction, 3 ligands (TG, GP3, LCG), 1 pocket (best druggability 0.48). MolNFT v1…

PDB
7LNG
Type
RNA
Length
25 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*(TG))-3')
Ligands
TG, GP3, LCG
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG) P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(TG))-3')rna14——
BRNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG) P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(TG))-3')rna11——

Ligands and binding sites

  • TG · 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one · ligand · 2 copies · chains A, B
  • GP3 · Diguanosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • LCG · [(1R,3R,4R,7S)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate · ligand · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12870.480.7417empty

Interfaces

1 interface between chains.

  • A–B · 557 Ų buried · 45 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 7 modified, 4 covalent (nucleotide modification, covalent ligand).

Compared structures

  • 7LNG · TNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand… · the same entry in another collection · chain A against A, TM-score 1.00

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