Table S1.46. Fragment 46 interactions with Asp

Fragment 46
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: 017
(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-
benzyl-2-hydroxypropylcarbamate
PDB codes: 2idw, 2ieo, 3bvb, 3d20.


  2. Ligand: 478
{3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-
furan-3-yl ester
PDB code: 1hpv.


  3. Ligand: 5BM
(2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
PDB code: 3eqh.


  4. Ligand: 5DE
1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
PDB code: 1y2e.


  5. Ligand: ANL
Aniline
PDB code: 1aee.


  6. Ligand: BE2
2-aminobenzoic acid
PDB code: 1f8s.


  7. Ligand: DMQ
[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-
4,7-bis(phenylmethyl)-2h-1,3-diazepinone
PDB codes: 1dmp, 1mer.


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


  9. Ligand: PI9
(10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-
dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene
PDB code: 1d4l.