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MolNFT v1 · #180284 · RNA

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

7KUP · 5'-R((LCC)P*(LCC)P*(LCC)P*(LCG)…: “2'-ome modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')PPP(5')G”. X-ray diffraction, 2 ligands (GP3, MG), 1 pocket (best druggability 0.50). MolNFT v1 #180284…

PDB
7KUP
Type
RNA
Length
28 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R((LCC)P*(LCC)P*(LCC)P*(LCG) P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(OMG))-3'
Ligands
GP3, MG
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-R((LCC)P*(LCC)P*(LCC)P*(LCG) P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(OMG))-3'rna14——

Ligands and binding sites

  • GP3 · Diguanosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • 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

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13540.500.7321empty

Interfaces

1 interface between chains.

  • A–B · 589 Ų buried · 43 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 10 modified (nucleotide modification).

Compared structures

  • 7KUP · 2'-OMe 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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