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The crystal structure of human cytoplasmic LRS

Analyse The crystal structure of human cytoplasmic LRS in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LPF
Type
protein
Length
2,008 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.49
Source
Homo sapiens
Molecule
Leucine--tRNA ligase, cytoplasmic
EC
6.1.1.4
UniProt
Q9P2J5
Ligands
LSS, VRT
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · resolution 2.49 · 2 distinct chains · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeucine--tRNA ligase, cytoplasmic (EC 6.1.1.4)protein100248% helix, 15% strandQ9P2J5
BLeucine--tRNA ligase, cytoplasmic (EC 6.1.1.4)protein100649% helix, 16% strandQ9P2J5

Ligands and binding sites

  • LSS · 5'-O-(L-leucylsulfamoyl)adenosine · ligand · 2 copies · chains A, B
  • VRT · 2'-(L-norvalyl)amino-2'-deoxyadenosine · ligand · chains B
  • GOL · Glycerol · additive · chains B

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13410.760.8733VRT
25640.760.8342empty
36490.710.7966LSS
46420.700.7859LSS
52360.670.8432empty

Interfaces

1 interface between chains.

  • A–B · 614 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6LPF · The crystal structure of human cytoplasmic lrs · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9P2J5 · AlphaFold monomer V2.0 prediction for leucine--tRNA ligase, cytoplasmic (Q9P2J5) · a predicted model of the same protein · chain A against A, TM-score 0.99

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