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| Fragment 63 |
The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.
| Table S1.63. Fragment 63 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. |
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| Ligand | |
Description | ||||||||||||||||||||||
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1. Ligand: 2FA 2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol PDB code: 1pk9. |
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2. Ligand: 3D1 (2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol PDB code: 2zi6. |
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3. Ligand: 3L1 (2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol PDB codes: 2zi4, 2zi5. |
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4. Ligand: A12 Phosphomethylphosphonic acid adenosyl ester PDB code: 1hpu. |
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5. Ligand: A3S Serine-3'-aminoadenosine PDB code: 1tky. |
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6. Ligand: AAT S-adenosyl-1,8-diamino-3-thiooctane PDB code: 2i7c. |
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7. Ligand: ADE Adenine PDB codes: 1cb0, 1d2a, 1s2d, 1wta, 1z5n, 2h8g, 2qtt, 3bsf. |
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8. Ligand: ADN Adenosine PDB codes: 1jdv, 1jg2, 1jg3, 1uay, 2ac7, 2pgf. |
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9. Ligand: AMP Adenosine monophosphate PDB codes: 1ct9, 1uuy, 2g1u, 2rh6, 2ze6, 2ze7, 3c85. |
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10. Ligand: BA2 5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4- yl]pentanoyl}amino)butyl]amino}adenosine PDB code: 2jg3. |
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11. Ligand: CDY 2-chlorodideoxyadenosine PDB code: 1qye. |
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12. Ligand: CL9 2-chloro-2'-deoxyadenosine PDB code: 2zia. |
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13. Ligand: DZ8 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine PDB code: 2h55. |
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14. Ligand: EMU N-benzyl-9h-purin-6-amine PDB code: 1w1s. |
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15. Ligand: H64 8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine PDB codes: 1zw9, 2fwy. |
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16. Ligand: H71 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine PDB code: 2fwz. |
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17. Ligand: HYC O5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine PDB code: 1i5r. |
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18. Ligand: MTA 5'-deoxy-5'-methylthioadenosine PDB codes: 1cg6, 1eg2, 1jdt, 2a8y, 2e5w, 2hte, 2ipx, 2o05, 2o06, 2o07, 3b7p, 3c6k. |
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19. Ligand: NEA 5'-deoxy-5'-[2-(amino)ethylthio]adenosine PDB codes: 1g38, 2ibt, 2ih2, 2ih4, 2ih5, 2np6, 2np7. |
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20. Ligand: NEC N-ethyl-5'-carboxamido adenosine PDB codes: 1qy5, 1u2o. |
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21. Ligand: NEI (2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide PDB code: 2h8m. |
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22. Ligand: PA7 N-propyl carboxyamido adenosine PDB code: 2gqp. |
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23. Ligand: PRX Adenosine-5'-monophosphate-propyl ester PDB code: 1pg4. |
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24. Ligand: PU1 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine PDB code: 1uyf. |
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25. Ligand: PU2 8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine PDB code: 1uyg. |
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26. Ligand: PU3 9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine PDB code: 1uy6. |
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27. Ligand: PU4 9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine PDB code: 1uy7. |
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28. Ligand: PU5 9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine PDB code: 1uy8. |
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29. Ligand: PU6 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h- PDB code: 1uy9. |
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30. Ligand: PU7 9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine PDB code: 1uyc. |
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31. Ligand: PU9 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine PDB code: 1uye. |
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32. Ligand: S4M 5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine PDB codes: 2o0l, 2pt6. |
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33. Ligand: SFG Adenosyl-ornithine PDB code: 1nw6. |
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34. Ligand: XYA 2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol PDB code: 1pr6. |
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35. Ligand: ZEA (2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol PDB codes: 1w1r, 2flh, 2qim. |
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36. Ligand: ZIP N-(3-methylbut-2-en-1-yl)-9h-purin-6-amine PDB code: 1w1q. |
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