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MolNFT v1 · #67817 · RNA

Structure of the U65C mutant a-riboswitch aptamer from the bacillus subtilis pbue operon

3IVN: “Structure of the U65C mutant a-riboswitch aptamer from the bacillus subtilis pbue operon”. X-ray diffraction, 2 ligands (MG, BR), 4 pockets (best druggability 0.67). MolNFT v1 #67817 on GenesisL1: 3D structure, binding sites and…

PDB
3IVN
Type
RNA
Length
138 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
A-riboswitch
Ligands
MG, BR
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BA-riboswitchrna69——

Ligands and binding sites

  • MG · Magnesium ion · metal · 9 copies · chains A, B
  • BR · Bromide ion · ion · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110270.670.7440MG
26910.650.7551MG
32690.460.7320empty
41910.400.7219MG

Compared structures

  • 3IVN · Structure of the U65C mutant A-riboswitch aptamer from the Bacillus subtilis pbuE operon · the same entry in another collection · chain A against A, TM-score 1.00

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