Table S1.44. Fragment 44 interactions with Asp

Fragment 44
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: 3MS
N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-
1,2,4-benzothiadiazin-7-yl}methanesulfonamide
PDB code: 3co9.


  2. Ligand: 3UN
(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
PDB code: 2h03.


  3. Ligand: N3H
N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-
1,2,4-benzothiadiazin-7-yl}methanesulfonamide
PDB code: 3cde.


  4. Ligand: SK2
(3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester
PDB code: 2f6v.


  5. Ligand: UA1
N-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide
PDB code: 2i4g.


  6. Ligand: UA5
(4-ethylphenyl)sulfamic acid
PDB code: 2i5x.


  7. Ligand: UN5
{3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-
sulfamic acid
PDB code: 2f6z.


  8. Ligand: UN7
3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid
PDB code: 2f71.