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The crystal structure of the 50S large ribosomal subunit from deinococcus radiodurans complexed with troleandomycin macrolide antibiotic

Analyse The crystal structure of the 50S large ribosomal subunit from deinococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1OND
Type
protein + RNA
Length
2,953 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
23S ribosomal RNA; 50S ribosomal protein L22; 50S ribosomal protein L32
UniProt
Q9RXJ7, P49228
Ligands
TAO
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
023S ribosomal RNArna2765——
Q50S ribosomal protein L22protein1300% helix, 0% strandQ9RXJ7
Z50S ribosomal protein L32protein580% helix, 0% strandP49228

Ligands and binding sites

  • TAO · Troleandomycin · ligand · chains 0, Z

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18120.860.9072empty
29780.860.8881empty
311000.850.8795empty
46080.840.9056empty
56710.840.8966empty

Interfaces

3 interfaces between chains.

  • 0–Z · 972 Ų buried · 0 hydrogen bonds · protein-nucleic
  • 0–Q · 879 Ų buried · 0 hydrogen bonds · protein-nucleic
  • Q–Z · 29 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1OND · The crystal structure of the 50S large ribosomal subunit from deinococcus radiodurans… · the same entry in another collection · chain 0 against 0, TM-score 1.00
  • Q9RXJ7 · AlphaFold monomer V2.0 prediction for 50S ribosomal protein L22 (Q9RXJ7) · a predicted model of the same protein · chain Q against A, TM-score 0.92
  • P49228 · AlphaFold monomer V2.0 prediction for 50S ribosomal protein L32 (P49228) · a predicted model of the same protein · chain Z against A, TM-score 0.83

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