Table S1.107. Fragment 107 interactions with Asp

Fragment 107
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: 216
[4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-
diazepinone
PDB code: 1hwr.


  2. Ligand: AH1
Aha001
PDB code: 1ajx.


  3. Ligand: DMP
[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-
phenyl]methyl)-4,7-bis(phenylmethyl)]-2h-1,3-diazepinone
PDB codes: 1mes, 1met, 1meu, 1qbs.


  4. 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.


  5. Ligand: XK2
[4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-
bis(phenylmethyl)-2h-1,3-diazepin-2-one
PDB code: 1hvr.


  6. Ligand: XV6
[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-
diazepine-1,3(2h)-diyl] bis(methylene)]bis[n-2-thiazolylbenzamide]
PDB codes: 1bv7, 1bv9, 1bwa, 1qbr.


  7. Ligand: 846
[4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-
bis(phenylmethyl)-1h-1,3-diazepin]methyl-2-thiazolylbenzamide
PDB code: 1qbu.