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Ligand · KSJ

KSJ · [(1S,2R)-2-(2-hydroxybenzene-1-carbonyl) cyclopentyl]acetic acid

KSJ, [(1S,2R)-2-(2-hydroxybenzene-1-carbonyl) cyclopentyl]acetic acid (C14 H16 O4, 248.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
KSJ
Formula
C14 H16 O4
Class
ligand
Structures
5
PDB entries
3

Binding sites

KSJ in 5 structures; the first of them:

  • 6NLZ · Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with… · KSJ A301 · binds THR11, GLY12, LYS15, THR41, ARG45, ASP47, PRO71, ALA73 and 6 more
  • 6NMZ · Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with… · KSJ A301 · binds THR11, GLY12, LYS15, LYS37, THR41, ASP47, ASP49, PRO71 and 9 more
  • 6NLZ · Crystal structure of mycobacterium tuberculosis dethiobiotin synthetase in complex with… · KSJ A301 · binds THR11, GLY12, LYS15, THR41, ARG45, ASP47, PRO71, ALA73 and 6 more
  • 6NMZ · Crystal structure of mycobacterium tuberculosis dethiobiotin synthetase in complex with… · KSJ A301 · binds THR11, LYS15, LYS37, THR41, ASP47, PRO71, ALA73, PRO74 and 5 more
  • 6NN0 · Crystal structure of mycobacterium tuberculosis dethiobiotin synthetase in complex with… · KSJ A302 · binds THR11, GLY12, LYS15, THR41, ARG45, ASP47, PRO71, ALA73 and 6 more

Residues it binds most

GLY 20, ALA 20, THR 20, PRO 20, LYS 20, ASP 20, LEU 20, ARG 18, VAL 18, MET 13 (residue and the binding sites it lines).

Found with

  • KSP · [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl) cyclopentyl]acetic acid
  • SO4 · Sulfate ion
  • CTN · 4-amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone

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