| Table S1.20. Fragment 20 interactions with Asp |
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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 | |||||||||||||||||||||||
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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. |
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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. |
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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. |
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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. |
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5. Ligand: 606 (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid PDB code: 2piz. |
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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. |
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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. |
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8. Ligand: AGB N-(1-adamantyl)-n'-(4-guanidinobenzyl)urea PDB code: 1ejn. |
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9. Ligand: GBS 4-guanidinobenzoic acid PDB codes: 1gbt, 2ah4, 3dfl. |
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10. Ligand: L98 (2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid PDB code: 1zg8. |
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11. Ligand: P20 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid PDB code: 1zg7. |
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12. Ligand: SM1 N-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide PDB code: 1w13. |
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13. Ligand: 4PG 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine PDB code: 2r2w. |
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14. Ligand: PL0 1-phenylguanidine PDB code: 2o8w. |
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