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The discovery of benzhydrol-oxaborole hybrid derivatives as leucyl- tRNA synthetase inhibitors

Analyse The discovery of benzhydrol-oxaborole hybrid derivatives as leucyl- tRNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BZJ
Type
protein
Length
183 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
B8ZKS5
Ligands
FGX

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein183—B8ZKS5

Ligands and binding sites

  • FGX · [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl) phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium · ligand · chains A

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

Compared structures

  • 7BZJ · The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase… · the same entry in another collection · chain A against A, TM-score 1.00
  • B8ZKS5 · AlphaFold monomer V2.0 prediction for leucine--tRNA ligase (B8ZKS5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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