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MolNFT v1 · #125133 · RNA

Self-complimentary RNA 15MER binding with gmp monomers

5L00 · RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)…: “Self-complimentary RNA 15MER binding with gmp monomers”. X-ray diffraction, 2 ligands (G, MG), 2 pockets (best druggability 0.44). MolNFT v1 #125133 on GenesisL1: 3D structure, binding sites…

PDB
5L00
Type
RNA
Length
60 nucleotides
Chains
4
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
G, MG
Pockets
2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRNA (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

  • G · Guanosine-5'-monophosphate · ligand · 4 copies · chains A, B, D, C
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12390.440.7320empty
22190.420.7217empty

Interfaces

3 interfaces between chains.

  • C–D · 691 Ų buried · 57 hydrogen bonds · nucleic-nucleic
  • A–B · 689 Ų buried · 56 hydrogen bonds · nucleic-nucleic
  • B–D · 74 Ų buried · 1 hydrogen bond · nucleic-nucleic

Modifications

Observed in the structure: 16 modified (nucleotide modification).

Compared structures

  • 5L00 · Self-complimentary RNA 15mer binding with GMP monomers · the same entry in another collection · chain A against A, TM-score 1.00

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