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MolNFT v1 · #114571 · RNA

Fusobacterium ulcerans ztp riboswitch bound to zmp

5BTP · RNA (62-mer): “Fusobacterium ulcerans ztp riboswitch bound to zmp”. X-ray diffraction, 3 ligands (AMZ, MG, K), 3 pockets (best druggability 0.68). MolNFT v1 #114571 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5BTP
Type
RNA
Length
124 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (62-mer)
Ligands
AMZ, MG, K
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
BRNA (62-mer)rna62——
ARNA (62-mer)rna62——

Ligands and binding sites

  • AMZ · Aminoimidazole 4-carboxamide ribonucleotide · ligand · 2 copies · chains B, A
  • MG · Magnesium ion · metal · 12 copies · chains B, A
  • K · Potassium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15040.680.8030MG, AMZ
25130.680.7930MG, AMZ, K
31370.370.7315MG

Interfaces

1 interface between chains.

  • B–A · 585 Ų buried · 27 hydrogen bonds · nucleic-nucleic

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