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MolNFT v1 · #169013 · RNA

Crystal structure of RNA-10MER: CCGG(N4-methyl-C)GCCGG

6WY2 · RNA-10MER: CCGG(4-methyl-C)GCCGG: “Crystal structure of RNA-10MER: CCGG(N4-methyl-C)GCCGG”. X-ray diffraction, 2 ligands (MG, K), 2 pockets (best druggability 0.29). MolNFT v1 #169013 on GenesisL1: 3D structure, binding sites and…

PDB
6WY2
Type
RNA
Length
50 nucleotides
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-10MER: CCGG(4-methyl-C)GCCGG
Ligands
MG, K
Pockets
2 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, ERNA-10MER: CCGG(4-methyl-C)GCCGGrna10——

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, E
  • K · Potassium ion · metal · chains B, C

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
1910.290.7210MG
2720.270.7310MG

Interfaces

8 interfaces between chains.

  • D–E · 537 Ų buried · 60 hydrogen bonds · nucleic-nucleic
  • B–C · 528 Ų buried · 57 hydrogen bonds · nucleic-nucleic
  • C–D · 112 Ų buried · 4 hydrogen bonds · nucleic-nucleic
  • A–C · 111 Ų buried · 4 hydrogen bonds · nucleic-nucleic
  • B–E · 110 Ų buried · 5 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 5 modified (nucleotide modification).

Compared structures

  • 6WY2 · Crystal structure of RNA-10mer: CCGG(N4-methyl-C)GCCGG · the same entry in another collection · chain A against A, TM-score 1.00

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