Table S1.27. Fragment 27 interactions with Asp

Fragment 27
Listed below are the ligands in the PDB that contain the chemical fragment shown on the left and which interact via this fragment with the side chain of a Asp residue via hydrogen bonds.

The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.

Ligand Description


  1. Ligand: I3A
1h-indole-3-carbaldehyde
PDB codes: 2ou3, 3bwl.


  2. Ligand: IAD
N-[1h-indol-3-yl-acetyl]aspartic acid
PDB code: 1k3u.


  3. Ligand: IAG
N-[1h-indol-3-yl-acetyl]glycine acid
PDB code: 1k8z.


  4. Ligand: IGP
Indole-3-glycerol phosphate
PDB codes: 1kfb, 1qoq, 2rh9, 2rhg.


  5. Ligand: IPL
Indole-3-propanol phosphate
PDB codes: 1kfc, 1qop, 2trs.


  6. Ligand: ME4
3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide
PDB code: 2p94.


  7. Ligand: TYM
Tryptophanyl-5'amp
PDB codes: 1i6k, 1i6l, 1i6m.