Table S1.113. Fragment 113 interactions with Asp

Fragment 113
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: GB1
(2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
PDB code: 2f18.


  2. Ligand: GB2
(2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
PDB code: 2f1a.


  3. Ligand: GB3
(2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
PDB code: 2f1b.


  4. Ligand: GHA
1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt
PDB code: 1tqu.


  5. Ligand: IMU
Phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-
pyrrolidin-2-ylmethyl] ester
PDB codes: 1bzy, 1dqn.


  6. Ligand: IRP
(1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate
PDB code: 1cjb.


  7. Ligand: W72
6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid
PDB code: 2fyv.


  8. Ligand: IMH
1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol
PDB codes: 2ff1, 3b9g.


  9. Ligand: IMQ
(2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol
PDB code: 3epx.


  10. Ligand: JMQ
(2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxy-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-
diol
PDB code: 3epw.