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Structure of the candida albicans cytosolic leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct

Analyse Structure of the candida albicans cytosolic leucyl-tRNA synthetase editing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2WFG
Type
protein
Length
250 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytosolic leucyl-tRNA synthetase
UniProt
Q5A9A4
Ligands
ZZB
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytosolic leucyl-tRNA synthetaseprotein25032% helix, 24% strandQ5A9A4

Ligands and binding sites

  • ZZB · [(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate · ligand · 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
12710.760.8830ZZB

Compared structures

  • 2WFG · Structure of the Candida albicans cytosolic leucyl-tRNA synthetase editing domain bound… · the same entry in another collection · chain A against A, TM-score 1.00

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