Crystal structure of E. COLI seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).

Ligands and binding sites

• JPE · [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate · ligand · 3 copies · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

Compared structures

• 6R1O · Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl… · the same entry in another collection · chain A against A, TM-score 1.00

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• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt A0A1X3JK72
• Elsewhere: RCSB PDB 6R1O · PDBe 6R1O · UniProt A0A1X3JK72