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Crystal structure of aquifex aeolicus methionyl-tRNA synthetase complexed with TRNA(MET)

Analyse Crystal structure of aquifex aeolicus methionyl-tRNA synthetase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2CSX
Type
protein + RNA
Length
1,078 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (75-mer); Methionyl-tRNA synthetase
EC
6.1.1.10
UniProt
O67298
Pockets
16 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DRNA (75-mer)rna75——
A, BMethionyl-tRNA synthetase (EC 6.1.1.10)protein46451% helix, 14% strandO67298

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110730.770.7994empty
28870.760.8064empty
38150.740.7873empty
48330.720.7860empty
54440.660.7843empty

Interfaces

4 interfaces between chains.

  • D–B · 1195 Ų buried · 38 hydrogen bonds · protein-nucleic
  • C–A · 1165 Ų buried · 27 hydrogen bonds · protein-nucleic
  • A–B · 872 Ų buried · 10 hydrogen bonds · protein-protein
  • D–A · 18 Ų buried · 0 hydrogen bonds · protein-nucleic

Compared structures

  • 2CSX · Crystal structure of Aquifex aeolicus methionyl-tRNA synthetase complexed with tRNA(Met) · the same entry in another collection · chain C against C, TM-score 1.00
  • O67298 · AlphaFold monomer V2.0 prediction for methionine--tRNA ligase (O67298) · a predicted model of the same protein · chain A against A, TM-score 0.99

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