Crystal structure of neisseria gonorrhoeae leurs E169G mutant in complex with the reaction intermediate leu-AMP

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Ligands and binding sites

• ATP · Adenosine-5'-triphosphate · ligand · chains A
• USB · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate · ligand · chains A
• ZN · Zinc ion · metal · chains A
• MG · Magnesium ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

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

Compared structures

• 7NU2 · Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
• B4RNT1 · AlphaFold monomer V2.0 prediction for leucine--tRNA ligase (B4RNT1) · a predicted model of the same protein · chain A against A, TM-score 0.94

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt B4RNT1
• Elsewhere: RCSB PDB 7NU2 · PDBe 7NU2 · UniProt B4RNT1