Table S1.20. Fragment 20 interactions with Asp

Fragment 20
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: 11B
(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-
aza-6-phosphanonan-9-oic acid 6-oxide
PDB code: 2pj5.


  2. Ligand: 33Z
(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-
phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
PDB code: 2pja.


  3. Ligand: 343
(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-
2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid
PDB code: 2pjc.


  4. Ligand: 414
(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-
4-aza-6-phosphanonan-9-oic acid 6-oxide
PDB code: 2pj4.


  5. Ligand: 606
(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
PDB code: 2piz.


  6. Ligand: 86A
(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-
phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid
PDB code: 2pj3.


  7. Ligand: 922
(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-
aza-6-phosphanonan-9-oic acid 6-oxide
PDB code: 2pj0.


  8. Ligand: AGB
N-(1-adamantyl)-n'-(4-guanidinobenzyl)urea
PDB code: 1ejn.


  9. Ligand: GBS
4-guanidinobenzoic acid
PDB codes: 1gbt, 2ah4, 3dfl.


  10. Ligand: L98
(2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid
PDB code: 1zg8.


  11. Ligand: P20
2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid
PDB code: 1zg7.


  12. Ligand: SM1
N-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide
PDB code: 1w13.


  13. Ligand: 4PG
1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
PDB code: 2r2w.


  14. Ligand: PL0
1-phenylguanidine
PDB code: 2o8w.