Fragment 29 interactions with Glu

Table S2.29. Fragment 29 interactions with Glu

Fragment 29

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 Glu residue via hydrogen bonds.

The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.

Ligand

Description

1. Ligand: 20S
Beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside
PDB codes: 2faf, 2fah, 2qzy.

2. Ligand: 2FA
2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
PDB codes: 1pk9, 2zj0.

3. Ligand: 3GP
Guanosine-3'-monophosphate
PDB codes: 1low, 1rga, 1rgc, 1rls, 2gsp.

4. Ligand: 5AD
5'-deoxyadenosine
PDB code: 1i9c.

5. Ligand: A8M
5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine
PDB code: 3dz2.

6. Ligand: AAT
S-adenosyl-1,8-diamino-3-thiooctane
PDB codes: 1jq3, 2i7c.

7. Ligand: AD3
3-deaza-adenosine
PDB code: 2ziz.

8. Ligand: ADN
Adenosine
PDB codes: 1jdv, 1jg2, 1jg3, 1pg2, 1vhw, 2ac7, 3ce6.

9. Ligand: C8M
3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-
yl]methyl}(methyl)amino]propanamide
PDB code: 3dz4.

10. Ligand: CC5
Beta-d-erythrofuranosyl-adenosine
PDB code: 2i2b.

11. 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.

12. Ligand: FBP
Beta-fructose-1,6-diphosphate
PDB codes: 3bxf, 3d1r.

13. Ligand: FM1
2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol
PDB code: 1k9s.

14. Ligand: FM2
2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
PDB code: 1k9s.

15. Ligand: FMB
Formycin b
PDB codes: 1a69, 1jdz.

16. Ligand: FMC
Formycin
PDB codes: 2qtt, 3bl6.

17. Ligand: GAR
Glycinamide ribonucleotide
PDB codes: 1c2t, 1c3e, 1ez1, 1kj8, 1rby.

18. Ligand: M8E
5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
PDB code: 3dz6.

19. Ligand: M8M
5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
PDB code: 3dz5.

20. Ligand: MAO
5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine
PDB code: 1i72.

21. Ligand: MHZ
5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine
PDB code: 1i79.

22. Ligand: MTA
5'-deoxy-5'-methylthioadenosine
PDB codes: 1jdt, 1z5o, 2e5w, 2hte, 2ipx, 2o05, 2o06, 2o07, 3b7p, 3c6k.

23. Ligand: MTH
2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol
PDB codes: 1nc1, 2qtg.

24. Ligand: NEA
5'-deoxy-5'-[2-(amino)ethylthio]adenosine
PDB codes: 1g38, 2ibt, 2ih2, 2ih4, 2ih5, 2np6, 2np7.

25. Ligand: NMN
Beta-nicotinamide ribose monophosphate
PDB codes: 2hct, 3dzj, 3dzk.

26. Ligand: NOS
Inosine
PDB codes: 1kic, 2bsx.

27. Ligand: O8M
2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-
yl]methyl}(methyl)amino]acetamide
PDB code: 3dz7.

28. Ligand: R1P
Ribose-1-phosphate
PDB code: 3bje.

29. Ligand: RAB
2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
PDB code: 1pw7.

30. Ligand: S4M
5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine
PDB codes: 2o0l, 2pt6.

31. Ligand: SIB
(2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-
yl]methyl}thio)butanoic acid
PDB code: 2plm.

32. Ligand: SMM
S-adenosylmethionine methyl ester
PDB codes: 1i7b, 3dz3, 3ep6, 3ep7, 3ep8.

33. Ligand: SR1
5-s-methyl-5-thio-alpha-d-ribofuranose
PDB code: 1z5n.

34. Ligand: SRP
Seryl adenylate
PDB code: 1wle.

35. Ligand: TYU
Tetrahydrouridine
PDB code: 2fr5.

36. Ligand: XYA
2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
PDB code: 1pr6.

37. Ligand: 1RB
1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate
PDB code: 1l5k.

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

39. Ligand: 4AD
4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate
PDB code: 1x54.

40. Ligand: 5GP
Guanosine-5'-monophosphate
PDB codes: 1qk3, 2j41, 2jbh, 2qor.

41. Ligand: 7RA
7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate
PDB code: 1l5m.

42. Ligand: 7RP
7-alpha-d-ribofuranosyl-purine-5'-phosphate
PDB code: 1l5l.

43. Ligand: AAM
Alpha-adenosine monophosphate
PDB code: 1jha.

44. Ligand: ANU
2,2'-anhydrouridine
PDB codes: 1zl2, 2pga, 3c74.

45. Ligand: AR3
Cytarabine
PDB code: 1p5z.

46. Ligand: CMP
Adenosine-3',5'-cyclic-monophosphate
PDB codes: 1g6n, 1hw5, 1i5z, 1q43, 1vp6, 1zrf, 2ptm, 3bpz, 3clp.

47. Ligand: CTN
4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone
PDB code: 2fr6.

48. Ligand: DGS
3,6-anhydro-d-galactose-2-sulfate
PDB codes: 1ktw, 1ktw, 1ktw.

49. Ligand: FDP
Fructose-2,6-diphosphate
PDB codes: 2qvu, 2qvv.

50. Ligand: FMP
Formycin-5'-monophosphate
PDB code: 1j1s.

51. Ligand: GRF
5-o-phosphono-beta-d-ribofuranosylamine
PDB code: 1zly.

52. Ligand: IMP
Inosinic acid
PDB codes: 1qk4, 2ywu.

53. Ligand: KHO
4-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-tetrahydro-pyran-2,3,5-triol
PDB code: 1qw8.

54. Ligand: KHP
2-hydroxymethyl-5-(4-nitro-phenoxy)-tetrahydro-furan-3,4-diol
PDB code: 1qw9.

55. Ligand: LMS
[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
PDB codes: 1h3n, 1obc, 2v0c.

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

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

58. Ligand: NCN
Nicotinate mononucleotide
PDB codes: 1l4f, 1l4g, 1l4h, 1l4l, 1l4m, 1l5o.

59. Ligand: NSS
5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine
PDB code: 1x55.

60. Ligand: P2P
N7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine
PDB code: 1jhr.

61. Ligand: PCG
Cyclic guanosine monophosphate
PDB code: 1q3e.

62. Ligand: PMO
N1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole
PDB code: 1jhq.

63. Ligand: RBZ
Alpha-ribazole-5'-phosphate
PDB codes: 1d0v, 1l4e.

64. Ligand: RMB
N1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole
PDB code: 1jho.

65. Ligand: URI
Uridine
PDB code: 2fr6.