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Crystal structure of 3RD-generation mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine

Analyse Crystal structure of 3RD-generation mj 3-nitro-tyrosine tRNA synthetase ("A7")… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WRK
Type
protein
Length
311 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine--tRNA ligase
EC
6.1.1.1
UniProt
Q57834
Ligands
NIY, NA
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine--tRNA ligase (EC 6.1.1.1)protein31151% helix, 13% strandQ57834

Ligands and binding sites

  • NIY · Meta-nitro-tyrosine · ligand · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • GOL · Glycerol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13890.790.8857NIY

Compared structures

  • 6WRK · Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase (A7") bound to… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q57834 · AlphaFold monomer V2.0 prediction for tyrosine--tRNA ligase (Q57834) · a predicted model of the same protein · chain A against A, TM-score 0.98

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