Table S3.86. Fragment 86 interactions with Arg

Fragment 86
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 Arg residue via hydrogen bonds.

The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.

Ligand Description


  1. Ligand: 49A
4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
PDB code: 1f8e.


  2. Ligand: 4AM
4-amino-2-deoxy-2,3-dehydro-n-neuraminic acid
PDB codes: 1f8c, 2qwd.


  3. Ligand: 9AM
9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
PDB code: 1f8d.


  4. Ligand: DAN
2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
PDB codes: 1e8v, 1eus, 1f8b, 1ms1, 1ms8, 1n1t, 1n1v, 1nsd, 1sli, 1usr, 1w0o, 1w8n, 1wcq, 2f25, 2qwc, 2sim, 2vk6.


  5. Ligand: DPC
5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
PDB codes: 1a4q, 1bji.


  6. Ligand: G20
4-acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
PDB codes: 2qwf, 2qwi.


  7. Ligand: UCD
(4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-
yloxy)-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
PDB code: 2ahg.


  8. Ligand: UNF
4-o-(4-deoxy-beta-l-threo-hex-4-enopyranuronosyl)-beta-d-galactopyranuronic acid
PDB codes: 2vzq, 2w47.


  9. Ligand: ZMR
Zanamivir
PDB codes: 1nnc, 1v3e, 3b7e, 3ckz.


  10. Ligand: DGC
4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
PDB codes: 1c82, 1ojm, 1ojn, 1ojo, 1ojp.


  11. Ligand: HS2
2-deoxy-4-o-(4-deoxy-alpha-l-threo-hex-4-enopyranuronosyl)-2-{[(1r)-1-hydroxyethyl]amino}-alpha-d-
glucopyranose
PDB code: 3e80.