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Crystal structure of pseudoudirinde synthase TruA in complex with leucyl tRNA

Analyse Crystal structure of pseudoudirinde synthase TruA in complex with leucyl tRNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2NRE
Type
protein + RNA
Length
315 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
4
Source
Escherichia coli K12; SYNTHETIC CONSTRUCT
Molecule
leucyl tRNA; tRNA pseudouridine synthase A
EC
5.4.99.12
UniProt
P07649
Ligands
K
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · resolution 4 · 2 distinct chains · 21% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
Fleucyl tRNArna56——
AtRNA pseudouridine synthase A (EC 5.4.99.12)protein25921% helix, 20% strandP07649

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17020.680.7741empty
25410.610.7550empty
33420.550.7623empty
4790.370.7614empty

Interfaces

1 interface between chains.

  • F–A · 506 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 2NRE · Crystal structure of pseudoudirinde synthase trua in complex with leucyl tRNA · the same entry in another collection · chain A against A, TM-score 1.00
  • P07649 · AlphaFold monomer V2.0 prediction for tRNA pseudouridine synthase a (P07649) · a predicted model of the same protein · chain A against A, TM-score 0.97

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