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| Fragment 118 |
The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.
| Table S1.118. Fragment 118 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: A2G N-acetyl-2-deoxy-2-amino-galactose PDB codes: 1ax0, 1bch, 1d0h, 1fnz, 1m26, 1wmz, 2z48, 2zut, 3ca3, 3ca6. |
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2. Ligand: AC1 6-methyl-5-(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-tetrahydro-pyran-2,3,4-triol PDB codes: 1hx0, 1hx0, 1w9x, 1w9x. |
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3. Ligand: CBI Cellobiose PDB codes: 2o7i, 2rfy, 2rg0, 3eng. |
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4. Ligand: CBS Di(n-acetyl-d-glucosamine) PDB codes: 1ljn, 2bs7. |
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5. Ligand: DAF 1,4-deoxy-4-((5-hydroxymethyl-2,3,4-trihydroxycyclohex-5-enyl)amino)fructose PDB codes: 1g94, 1g94, 1g9h, 1rp9, 1rp9, 1rpk, 1rpk, 2gjp, 2gjp. |
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6. Ligand: EBG 2-hydroxymethyl-6-(2-oxiranyl-ethoxy)-tetrahydro-pyran-3,4,5-triol PDB code: 1j12. |
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7. Ligand: EPG 2-hydroxymethyl-6-oxiranylmethoxy-tetrahydro-pyran-3,4,5-triol PDB code: 1j11. |
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8. Ligand: GCS D-glucosamine PDB code: 2vzs. |
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9. 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. |
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10. Ligand: IDC 5-hydroxymethyl-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridin-6yl-7,8-diol-glucopyranoside PDB codes: 1z3w, 2oyl. |
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11. Ligand: IPT Isopropyl-1-beta-d-thiogalactoside PDB codes: 1jyx, 1px4, 2p9h, 3dyo. |
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12. Ligand: KBG 2-keto-beta-d-glucose PDB code: 2f5v. |
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13. Ligand: M13 Methyl 3-o-alpha-d-mannopyranosyl-beta-d-altropyranoside PDB code: 2p37. |
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14. Ligand: MAB Mannobiose PDB code: 2vx7. |
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15. Ligand: MAG Beta-methyl-n-acetyl-d-glucosamine PDB code: 1zpl. |
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16. Ligand: MBG Methyl-beta-galactose PDB code: 1afa. |
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17. Ligand: MDP N-carboxy-n-methyl-muramic acid PDB codes: 1loc, 1loc. |
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18. Ligand: MUR Muramic acid PDB code: 1lod. |
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19. Ligand: NG1 N-acetyl-alpha-d-galactosamine 1-phosphate PDB code: 2a2c. |
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20. Ligand: NGA N-acetyl-d-galactosamine PDB codes: 1afb, 1bch, 1bcj, 1fih, 1wmz, 2fyd, 2obs, 2ofd, 2z48, 2zl7, 2zqo, 3ca3. |
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21. Ligand: OAN O-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate PDB code: 2oxn. |
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22. Ligand: OTG Ortho-toluoylglucosamine PDB code: 2yhx. |
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23. Ligand: PNJ Pnp-beta-d-glucosamine PDB code: 2vzu. |
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24. Ligand: SMD Methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside PDB code: 1x9d. |
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25. Ligand: STZ Streptozotocin PDB code: 2w4x. |
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26. Ligand: WZ1 methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside PDB code: 3bvt. |
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27. Ligand: XMM (2r,3s,4s,5s,6r)-2-(5-bromo-4-chloro-1h-indol-3-yloxy)-tetrahydro-6-(hydroxymethyl)-2h-pyran-3,4,5- triol PDB codes: 2jdz, 2je7, 2je9, 2jec. |
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28. Ligand: YX1 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose PDB code: 2vur. |
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29. Ligand: 145 1-o-[o-nitrophenyl]-beta-d-galactopyranose PDB code: 1jyv. |
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30. Ligand: 147 1-o-[p-nitrophenyl]-beta-d-galactopyranose PDB code: 1jyw. |
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31. Ligand: 16G N-acetyl-d-glucosamine-6-phosphate PDB codes: 1i1d, 2o28, 2vxk. |
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32. Ligand: 291 prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside PDB code: 2rid. |
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33. Ligand: 2G0 (2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2- yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide PDB code: 3dcq. |
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34. Ligand: 7CA 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l- mannopyranoside PDB code: 2h44. |
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35. Ligand: AD7 octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside PDB codes: 2rj4, 2rj9. |
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36. Ligand: ARW Methyl beta-d-arabinopyranoside PDB code: 2boj. |
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37. Ligand: ASO 1,5-anhydrosorbitol PDB code: 1xie. |
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38. Ligand: BHE octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside PDB codes: 2riy, 2rj1, 2rj6, 2rj8. |
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39. Ligand: DMU Decyl-beta-d-maltopyranoside PDB code: 2bbh. |
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40. Ligand: FMF 2-deoxy-2-fluorohexopyranosyl fluoride PDB code: 1qx1. |
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41. Ligand: G4D 4-deoxy-alpha-d-glucose PDB code: 1ofc. |
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42. Ligand: GDA 4-deoxy-4-amino-beta-d-glucose PDB code: 1ocb. |
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43. Ligand: GTM O1-methyl-4-deoxy-4-thio-beta-d-glucose PDB codes: 1ocb, 1ocb. |
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44. Ligand: GYU Glycosylurethan PDB code: 2uwg. |
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45. Ligand: HTG Heptyl 1-thiohexopyranoside PDB code: 2bgi. |
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46. Ligand: KDO 3-deoxy-d-manno-oct-2-ulosonic acid PDB codes: 3dur, 3dus, 3duu, 3dv4, 3dv6. |
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47. Ligand: LMT Dodecyl-beta-d-maltoside PDB codes: 3bz1, 3bz2. |
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48. Ligand: M1P Alpha-d-mannose 1-phosphate PDB code: 2fue. |
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49. Ligand: MAV D-mannuronic acid PDB codes: 1j1n, 1j1n, 1y3p, 1y3p. |
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50. Ligand: MFU Alpha-l-methyl-fucose PDB codes: 2boi, 2jdm, 2jdp, 2jdu. |
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51. Ligand: SGC 4-deoxy-4-thio-beta-d-glucopyranose PDB codes: 1kfg, 1kfg, 1p6w, 1p6w, 1p6w, 1qjw, 1qm5, 2qno, 2qno, 2qno, 2qno, 2qno. |
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52. Ligand: SSG 1,4-deoxy-1,4-dithio-beta-d-glucopyranose PDB codes: 1ocj, 1ocj. |
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53. 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. |
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54. Ligand: UDC (2s,3s)-2-((2s,3r,4s,5r)-5-ethanamido-3-hydroxy-2-(hydroxymethyl)tetrahydro-2h-pyran-4-yloxy)-3,4- dihydroxy-2-methylbutanoic acid PDB code: 2z2c. |
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