Table S1.112. Fragment 112 interactions with Asp

Fragment 112
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: 5AD
5'-deoxyadenosine
PDB code: 2cc2.


  2. Ligand: 5AS
5'-o-(n-ethyl-sulfamoyl)adenosine
PDB code: 1rzy.


  3. Ligand: 5CD
5'-chloro-5'-deoxyadenosine
PDB code: 2c2w.


  4. Ligand: 5GP
Guanosine-5'-monophosphate
PDB codes: 1hgx, 1lvg, 1pzm, 1qk3, 2ble, 2fxv, 2jbh.


  5. Ligand: A12
Phosphomethylphosphonic acid adenosyl ester
PDB code: 1hpu.


  6. Ligand: ABF
Beta-d-arabinofuranose-5'-phosphate
PDB code: 1o8b.


  7. Ligand: AD3
3-deaza-adenosine
PDB codes: 1hp0, 1kie, 2ziz.


  8. Ligand: ADX
Adenosine-5'-phosphosulfate
PDB code: 2ofw.


  9. Ligand: AIR
5-aminoimidazole ribonucleotide
PDB codes: 2fwi, 2fwj.


  10. Ligand: AMZ
Aminoimidazole 4-carboxamide ribonucleotide
PDB codes: 1m9n, 2cnq, 2cnq, 2uv5.


  11. Ligand: AP2
Phosphomethylphosphonic acid adenosyl ester
PDB code: 1av5.


  12. Ligand: C2R
5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
PDB codes: 2gqs, 2nsl.


  13. Ligand: CC5
Beta-d-erythrofuranosyl-adenosine
PDB code: 2cbx.


  14. Ligand: CDP
Cytidine-5'-diphosphate
PDB codes: 1gx1, 1iv2, 1orr, 2cmk.


  15. Ligand: FBP
Beta-fructose-1,6-diphosphate
PDB codes: 1w8s, 2q8m, 3d1r.


  16. Ligand: I2C
5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
PDB codes: 3f46, 3f47.


  17. Ligand: ICR
(4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid
PDB code: 2fwp.


  18. Ligand: MTA
5'-deoxy-5'-methylthioadenosine
PDB code: 1eg2.


  19. Ligand: MTP
2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol
PDB codes: 2aa0, 2ab8.


  20. Ligand: MZP
4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate
PDB code: 1pvn.


  21. Ligand: NIA
((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-
yl)methyl dihydrogen phosphate
PDB codes: 2ate, 2nsh.


  22. Ligand: NMN
Beta-nicotinamide ribose monophosphate
PDB codes: 1hyb, 1ta8, 2h3d, 2qg6, 2qsz, 3ba8, 3ba9, 3baa.


  23. Ligand: NNR
Nicotinamide riboside
PDB codes: 2qt0, 2qt1.


  24. Ligand: NOS
Inosine
PDB codes: 1kic, 2fqw.


  25. Ligand: PAJ
Pantoyl adenylate
PDB codes: 1n2h, 1n2i.


  26. Ligand: PRH
6-hydroxy-1,6-dihydro purine nucleoside
PDB code: 1a4m.


  27. Ligand: PRX
Adenosine-5'-monophosphate-propyl ester
PDB code: 1pg4.


  28. Ligand: RVP
Ribavirin monophosphate
PDB code: 1me8.


  29. Ligand: SFG
Adenosyl-ornithine
PDB codes: 1nw6, 2zbr, 3cjr.


  30. Ligand: SLU
5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine
PDB codes: 2d1s, 2d1t.


  31. Ligand: SR1
5-s-methyl-5-thio-alpha-d-ribofuranose
PDB code: 2pyw.


  32. Ligand: TIZ
(1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol
PDB code: 2p0e.


  33. Ligand: UDP
Uridine-5'-diphosphate
PDB codes: 1gy8, 1kvr, 1lzi, 1lzj, 1nah, 1nai, 1qgq, 1qgs, 1v83, 1v84, 1zi5, 1zj2, 2am5, 2b69, 2pzm, 2rj1, 2rj4, 2rj8, 2rj9, 3cu0.


  34. Ligand: 13A
7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-
imidazo[4,5-c][1,2,6]thiadiazin-4s-one
PDB code: 2b1g.


  35. Ligand: 2FA
2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
PDB codes: 2pkk, 2zj0.


  36. Ligand: 3DH
5'-s-ethyl-5'-thioadenosine
PDB code: 3dhy.


  37. Ligand: 3GP
Guanosine-3'-monophosphate
PDB code: 1rms.


  38. Ligand: 52H
5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine
PDB code: 3cow.


  39. Ligand: 53H
5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine
PDB code: 3coy.


  40. Ligand: 54H
5'-o-(d-valylsulfamoyl)adenosine
PDB code: 3coz.


  41. Ligand: 5BU
5-bromo-uridine-5'-monophosphate
PDB code: 2qcg.


  42. Ligand: 5CA
5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine
PDB code: 3c8z.


  43. Ligand: 5FU
5-fluoro-uridine-5'-monophosphate
PDB code: 2qcf.


  44. Ligand: 5ID
(2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-
3,4-diol
PDB code: 2vuw.


  45. Ligand: 6AZ
6-azidouridine 5'-(dihydrogen phosphate)
PDB code: 2zz6.


  46. Ligand: 6CN
6-cyanouridine 5'-phosphate
PDB codes: 2zz1, 2zz2, 2zz3, 2zz4, 2zz5.


  47. Ligand: 7MG
7n-methyl-8-hydroguanosine-5'-monophosphate
PDB code: 1h2t.


  48. Ligand: 93A
[3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-
yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
PDB code: 2b1i.


  49. Ligand: A3P
Adenosine-3'-5'-diphosphate
PDB code: 1ka1.


  50. Ligand: BMP
6-hydroxyuridine-5'-phosphate
PDB codes: 1lor, 1x1z, 2zz1, 2zz7, 3bgg.


  51. Ligand: C2G
[Cytidine-5'-phosphate] glycerylphosphoric acid ester
PDB code: 1n1d.


  52. Ligand: CNU
5-cyano-uridine-5'-monophosphate
PDB code: 3bk0.


  53. Ligand: DTA
(2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-
yl)tetrahydrofuran-3,4-diol]
PDB codes: 2i2c, 2q5f.


  54. Ligand: FDP
Fructose-2,6-diphosphate
PDB codes: 1frp, 2qvu, 2qvv.


  55. Ligand: FX3
5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose
PDB code: 2vgd.


  56. Ligand: GP2
Phosphomethylphosphonic acid guanosyl ester
PDB code: 1s1d.


  57. Ligand: H2U
5,6-dihydrouridine-5'-monophosphate
PDB code: 2v0j.


  58. Ligand: JW5
6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
PDB code: 2qcm.


  59. Ligand: MOD
L-methionyl adenylate
PDB code: 1pg0.


  60. Ligand: MSP
5'-o-[(l-methionyl)-sulphamoyl]adenosine
PDB code: 1pfy.


  61. Ligand: NUP
6-aminouridine 5'-monophosphate
PDB code: 2q8z.


  62. Ligand: OMP
Orotidine-5'-monophosphate
PDB codes: 1km6, 2prz, 2qcl.


  63. Ligand: RPP
2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
PDB code: 1lij.


  64. Ligand: SSS
N-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid
PDB code: 2cnv.


  65. Ligand: TSB
5'-o-(n-(l-threonyl)-sulfamoyl)adenosine
PDB code: 1wk9.


  66. Ligand: TYM
Tryptophanyl-5'amp
PDB codes: 1i6k, 1i6l, 1i6m, 1r6t, 1r6u.


  67. Ligand: UDH
6-aminohexyl-uridine-c1,5'-diphosphate
PDB codes: 2ae7, 2aec, 2aes, 2ah9, 3ee5.


  68. Ligand: UP6
6-aza uridine 5'-monophosphate
PDB codes: 1dvj, 1kly, 1km0, 1km1, 1km2, 1km3, 1km5, 1los, 2guu.


  69. Ligand: UPP
Phenyl-uridine-5'-diphosphate
PDB code: 2udp.