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Structural Basis for the Interaction of Antibiotics with the Peptidyl Transferase Center in Eubacteria

Analyse Structural Basis for the Interaction of Antibiotics with the Peptidyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JZY
Type
protein + RNA
Length
3,159 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.5
Source
Deinococcus radiodurans
Molecule
23S rRNA; Ribosomal Protein L4; Ribosomal Protein L22; Ribosomal Protein L32
UniProt
Q9RXK1, Q9RXJ7, P49228
Ligands
ERY, MG
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · resolution 3.5 · 4 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A23S rRNArna2774——
KRibosomal Protein L4protein1970% helix, 0% strandQ9RXK1
LRibosomal Protein L22protein1300% helix, 0% strandQ9RXJ7
MRibosomal Protein L32protein580% helix, 0% strandP49228

Ligands and binding sites

  • ERY · Erythromycin A · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A

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
17990.850.8980empty
210290.850.8775empty
310150.840.8692empty
46190.840.9060empty
56100.810.8743empty

Interfaces

4 interfaces between chains.

  • A–K · 1723 Ų buried · 0 hydrogen bonds · protein-nucleic
  • A–L · 1117 Ų buried · 0 hydrogen bonds · protein-nucleic
  • A–M · 1009 Ų buried · 0 hydrogen bonds · protein-nucleic
  • L–M · 11 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1JZY · Structural basis for the interaction of antibiotics with the peptidyl transferase center… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9RXJ7 · AlphaFold monomer V2.0 prediction for 50S ribosomal protein L22 (Q9RXJ7) · a predicted model of the same protein · chain L against A, TM-score 0.96
  • Q9RXK1 · AlphaFold monomer V2.0 prediction for 50S ribosomal protein L4 (Q9RXK1) · a predicted model of the same protein · chain K against A, TM-score 0.90
  • P49228 · AlphaFold monomer V2.0 prediction for 50S ribosomal protein L32 (P49228) · a predicted model of the same protein · chain M against A, TM-score 0.83

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