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Ligand · KAI

KAI · 3-(carboxymethyl)-4-isopropenylproline

KAI, 3-(carboxymethyl)-4-isopropenylproline (C10 H15 N O4, 213.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
KAI
Formula
C10 H15 N O4
Class
ligand
Structures
4
PDB entries
4

Binding sites

KAI in 4 structures; the first of them:

  • 5MFQ · Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-344… · KAI A903 · binds GLU441, TYR489, PRO516, LEU517, THR518, ARG523, VAL685, GLY688 and 5 more
  • 8BST · Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex… · KAI A914 · binds GLU443, TYR491, PRO518, LEU519, THR520, ARG525, VAL687, GLY690 and 5 more
  • 8BSU · Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex… · KAI A310 · binds GLU15, TYR63, PRO90, LEU91, THR92, ARG97, VAL139, GLY142 and 6 more
  • 8R36 · Crystal structure of the Gluk1 ligand-binding domain in complex with kainate and BPAM538… · KAI A901 · binds GLU441, TYR489, PRO516, LEU517, THR518, ARG523, VAL685, GLY688 and 5 more

Residues it binds most

GLU 16, THR 16, TYR 16, LEU 16, ARG 16, GLY 16, PRO 16, VAL 16, ALA 12, ASN 12 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • 2J9 · 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
  • ZN · Zinc ion
  • ACT · Acetate ion
  • 9TE · 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$L^{6}, 2,4-benzothiadiazine 1,1-dioxide
  • PEG · Di(hydroxyethyl)ether

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