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Paromomycin bound to a leishmanial ribosomal a-site

Analyse Paromomycin bound to a leishmanial ribosomal a-site in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZC7
Type
RNA
Length
82 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA duplex
Ligands
PAR
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CRNA duplexrna21——
B, DRNA duplexrna20——

Ligands and binding sites

  • PAR · Paromomycin · ligand · 2 copies · chains A, B, C, D

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
15820.590.7328PAR
25670.590.7428empty
31390.470.7818empty

Interfaces

5 interfaces between chains.

  • A–B · 964 Ų buried · 90 hydrogen bonds · nucleic-nucleic
  • C–D · 959 Ų buried · 96 hydrogen bonds · nucleic-nucleic
  • B–C · 95 Ų buried · 2 hydrogen bonds · nucleic-nucleic
  • A–D · 86 Ų buried · 1 hydrogen bond · nucleic-nucleic
  • A–C · 80 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4ZC7 · Paromomycin bound to a leishmanial ribosomal A-site · the same entry in another collection · chain A against A, TM-score 1.00

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