Table S1.53. Fragment 53 interactions with Asp

Fragment 53
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: 189
N-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-
yl)methyl]acetamide
PDB code: 1xl2.


  2. Ligand: BZN
N-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide
PDB code: 3bhe.


  3. Ligand: CS7
N'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-
methyl-n,n-dipropylisophthalamide
PDB code: 2qmd.


  4. Ligand: G0G
N,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide)
PDB code: 2pqz.


  5. Ligand: G3G
N,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide)
PDB codes: 2pwc, 2r3w, 2r43.


  6. Ligand: G4G
4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide
PDB codes: 2pwr, 2r38, 2r3t.


  7. Ligand: SC6
N-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-
(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
PDB code: 2qmg.


  8. Ligand: YDP
(3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
PDB code: 3ckt.