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MolNFT v1 · #145001 · RNA

Crystal structure of the L.LACTIS ykoy riboswitch bound to cadmium

6CB3 · RNA (99-mer): “Crystal structure of the L.LACTIS ykoy riboswitch bound to cadmium”. X-ray diffraction, 4 ligands (GTP, CD, BA), 9 pockets (best druggability 0.70). MolNFT v1 #145001 on GenesisL1: 3D structure, binding sites and…

PDB
6CB3
Type
RNA
Length
198 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (99-mer)
Ligands
GTP, CD, BA, MG
Pockets
9 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRNA (99-mer)rna99——

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • CD · Cadmium ion · metal · 38 copies · chains A, B
  • BA · Barium ion · metal · 13 copies · chains A, B
  • MG · Magnesium ion · metal · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18350.700.7751CD, BA, MG
27370.680.7737CD, BA, MG
31660.460.7616empty
41440.440.7715empty
5990.370.7613CD

Interfaces

1 interface between chains.

  • A–B · 341 Ų buried · 5 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6CB3 · Crystal structure of the L.Lactis YkoY riboswitch bound to cadmium · the same entry in another collection · chain A against A, TM-score 1.00

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