Table S4.48. Fragment 48 interactions with His

Fragment 48
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 His residue via hydrogen bonds.

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

Ligand Description


  1. Ligand: 24X
2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-
carboxylic acid
PDB code: 2ec9.


  2. Ligand: 3HA
3-hydroxyanthranilic acid
PDB code: 1u1w.


  3. Ligand: 4MA
4-methylbenzoic acid
PDB code: 2hrg.


  4. Ligand: 4MB
4-[(methylsulfonyl)amino]benzoic acid
PDB code: 2hds.


  5. Ligand: A19
5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
PDB code: 2ga2.


  6. Ligand: A41
5-methyl-2-[(phenylsulfonyl)amino]benzoic acid
PDB code: 1yw7.


  7. Ligand: BEZ
Benzoic acid
PDB codes: 1a8u, 1l7q, 1s8f, 1tmx, 1ukb, 1v1t, 2q0i, 2q0j, 2qmq.


  8. Ligand: C2U
3,5-dichloro-2-hydroxybenzoic acid
PDB code: 3c3u.


  9. Ligand: GRE
2,6-dihydroxybenzoic acid
PDB code: 2dvu.


  10. Ligand: L1O
4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
PDB code: 2vio.


  11. Ligand: 3HB
3-hydroxybenzoic acid
PDB code: 2dkh.


  12. Ligand: FLF
2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid
PDB code: 1s2c.


  13. Ligand: FUN
5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid
PDB code: 1z9y.


  14. Ligand: GIL
2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-
[(isobutylamino)carbonyl]benzoic acid
PDB code: 2c4f.


  15. Ligand: ONO
2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-
dimethylpropyl)amino]carbonyl}benzoic acid
PDB code: 2ayw.


  16. Ligand: PD8
Phosphorylated dihydropteroate
PDB code: 1w78.


  17. Ligand: SAL
2-hydroxybenzoic acid
PDB code: 1y7i.