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Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with an adenylate analog

Analyse Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2PID
Type
protein
Length
641 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosyl-tRNA synthetase
EC
6.1.1.1
UniProt
Q9Y2Z4
Ligands
YSA
Pockets
7 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosyl-tRNA synthetase (EC 6.1.1.1)protein31759% helix, 11% strandQ9Y2Z4
BTyrosyl-tRNA synthetase (EC 6.1.1.1)protein32457% helix, 11% strandQ9Y2Z4

Ligands and binding sites

  • YSA · 5'-O-[N-(L-tyrosyl)sulfamoyl]adenosine · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13200.680.8342YSA
23280.660.8141YSA
31010.470.8021empty
4790.420.8017empty
5910.360.7521empty

Interfaces

1 interface between chains.

  • A–B · 1433 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 2PID · Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with an… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9Y2Z4 · AlphaFold monomer V2.0 prediction for tyrosine--tRNA ligase, mitochondrial (Q9Y2Z4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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