Fragment 33 interactions with Glu

Table S2.33. Fragment 33 interactions with Glu

Fragment 33

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: 145
1-o-[o-nitrophenyl]-beta-d-galactopyranose
PDB code: 1jyv.

2. Ligand: 147
1-o-[p-nitrophenyl]-beta-d-galactopyranose
PDB code: 1jyw.

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

4. Ligand: 4GP
N-(beta-d-glucopyranosyl)oxamic acid
PDB code: 2f3p.

5. Ligand: 6GP
Methyl-n-(beta-d-glucopyranosyl)oxamate
PDB code: 2f3q.

6. Ligand: 7GP
Ethyl-n-(beta-d-glucopyranosyl)oxamate
PDB code: 2f3s.

7. Ligand: 8GP
N-(beta-d-glucopyranosyl)-n'-cyclopropyl oxalamide
PDB code: 2f3u.

8. Ligand: A2G
N-acetyl-2-deoxy-2-amino-galactose
PDB codes: 1bch, 1wmz, 2vng, 2w7y.

9. 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.

10. Ligand: AGL
4,6-dideoxy-4-amino-alpha-d-glucose
PDB codes: 1cpu, 1mfu, 1mfu, 1mfu, 1mfv, 1mfv, 1mfv, 1nm9, 1nm9, 1z32, 3blk, 3blp, 3dhp.

11. Ligand: AMU
Beta-n-acetylmuramic acid
PDB code: 1d0k.

12. Ligand: ASO
1,5-anhydrosorbitol
PDB codes: 1xie, 2asv.

13. Ligand: AZC
N-acetyl-n'-beta-d-glucopyranosyl urea
PDB code: 1kti.

14. Ligand: BZD
N-benzoyl-n'-beta-d-glucopyranosyl urea
PDB codes: 1k06, 2qnb.

15. Ligand: C3B
4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one
PDB code: 3bd8.

16. Ligand: C4B
1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione
PDB code: 3bda.

17. Ligand: CBI
Cellobiose
PDB codes: 1g0c, 1k72, 1qi0, 1tvp, 2a3h, 2rfy, 2rg0.

18. Ligand: CGF
C-(1-azido-alpha-d-glucopyranosyl) formamide
PDB code: 1p4g.

19. Ligand: CJB
1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione
PDB code: 3bcs.

20. Ligand: CKB
1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione
PDB code: 3bd7.

21. Ligand: CR6
1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide
PDB code: 1p4h.

22. Ligand: CRA
1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide
PDB code: 1b4d.

23. Ligand: DAF
1,4-deoxy-4-((5-hydroxymethyl-2,3,4-trihydroxycyclohex-5-enyl)amino)fructose
PDB codes: 1g94, 1g94, 1g9h, 1rpk, 1rpk.

24. Ligand: DFX
1,2-deoxy-2-fluoro-xylopyranose
PDB code: 1uhv.

25. Ligand: DL6
2-azido-n-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yl)acetamide
PDB code: 2ffr.

26. Ligand: DL8
N-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine
PDB code: 2pyi.

27. Ligand: F55
N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
PDB code: 2qn3.

28. Ligand: F68
N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
PDB code: 2qlm.

29. Ligand: FU4
2,6-anhydro-1-deoxy-d-galactitol
PDB code: 2obd.

30. Ligand: G16
Alpha-d-glucose 1,6-bisphosphate
PDB code: 2fkm.

31. Ligand: G2F
2-deoxy-2fluoro-glucose
PDB codes: 1e4i, 1e70, 1e73, 1uws, 2cit, 2pb1, 2rgm.

32. Ligand: GCS
D-glucosamine
PDB codes: 2vzs, 3co4.

33. Ligand: GCW
4-o-methyl-beta-d-glucuronic acid
PDB code: 1l8n.

34. Ligand: GL6
(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-phosphoramidic acid dimethyl ester
PDB code: 1xc7.

35. Ligand: GLS
Beta-d-glucopyranose spirohydantoin
PDB code: 1a8i.

36. Ligand: GYU
Glycosylurethan
PDB code: 2uwg.

37. Ligand: H53
2-(2,5-dihydroxyphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PDB codes: 2fet, 2ff5.

38. Ligand: HBZ
N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
PDB code: 2qn7.

39. Ligand: IDC
5-hydroxymethyl-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridin-6yl-7,8-diol-glucopyranoside
PDB codes: 1z3w, 2oyl.

40. Ligand: IMK
2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole
PDB code: 1xkx.

41. Ligand: IPT
Isopropyl-1-beta-d-thiogalactoside
PDB codes: 1jyx, 1px4, 3dyo.

42. Ligand: ISX
Glucose beta-1,3-isofagamine
PDB code: 2bvd.

43. Ligand: KDO
3-deoxy-d-manno-oct-2-ulosonic acid
PDB codes: 1q9q, 1q9q, 1q9r, 1q9v, 2r1y, 3duv.

44. Ligand: M07
(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-
triol
PDB code: 2qrg.

45. Ligand: M08
(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
PDB code: 2qrh.

46. Ligand: M09
(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-
triol
PDB code: 2qrm.

47. Ligand: M1P
Alpha-d-mannose 1-phosphate
PDB code: 1pcj.

48. Ligand: MA4
Cyclohexyl-hexyl-beta-d-maltoside
PDB codes: 1n9b, 1q2p, 1rcj, 1tdg, 1tdl, 2a3u, 2a49, 2h0t, 2h0y, 2h10, 2h5s, 2zd8, 3d4f.

49. Ligand: MAB
Mannobiose
PDB codes: 1qnr, 2vx7.

50. Ligand: MBG
Methyl-beta-galactose
PDB code: 1afa.

51. Ligand: MFU
Alpha-l-methyl-fucose
PDB codes: 1kww, 1rdi, 2bt9.

52. Ligand: NBG
1-n-acetyl-beta-d-glucosamine
PDB codes: 1l5r, 1l5s, 1ww2, 1xoi, 3dds, 3ddw.

53. Ligand: NBX
N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
PDB code: 2qn9.

54. Ligand: NBY
N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
PDB code: 2qn8.

55. Ligand: NDG
2-(acetylamino)-2-deoxy-a-d-glucopyranose
PDB codes: 1rdn, 1slt, 1v7w, 1v7x, 1w6p, 2uvo, 2uvo, 3cql.

56. Ligand: NG1
N-acetyl-alpha-d-galactosamine 1-phosphate
PDB code: 2dkd.

57. Ligand: NGA
N-acetyl-d-galactosamine
PDB codes: 1afb, 1bch, 1bcj, 1fih, 1wmz, 2fyd, 2vu9, 2z48.

58. Ligand: NTF
N-trifluro-acetyl-beta-d-glucopyranosylamine
PDB code: 1ww3.

59. Ligand: OX2
2-(beta-d-glucopyranosyl)-5-methyl-1,3,4-oxadiazole
PDB code: 1xl0.

60. Ligand: PNG
4'-nitrophenyl-alpha-d-glucopyranoside
PDB code: 2zox.

61. Ligand: PNJ
Pnp-beta-d-glucosamine
PDB code: 2vzu.

62. Ligand: S06
(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
PDB code: 2qrp.

63. Ligand: S13
(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-
triol
PDB code: 2qrq.

64. Ligand: S1A
Soraphen a
PDB code: 1w96.

65. Ligand: SGC
4-deoxy-4-thio-beta-d-glucopyranose
PDB codes: 1e5j, 1e5j, 1h5v, 1h5v.

66. Ligand: SSG
1,4-deoxy-1,4-dithio-beta-d-glucopyranose
PDB code: 1h5v.

67. Ligand: TDG
Thiodigalactoside
PDB codes: 1a78, 1lt5.

68. Ligand: TH1
2-(beta-d-glucopyranosyl)-5-methyl-benzothiazole
PDB code: 1xl1.

69. Ligand: VAM
Methyl 4-o-(4-thio-beta-d-glucopyranosyl)-beta-d-glucopyranoside
PDB code: 2vi0.

70. Ligand: X1P
1-o-phosphono-alpha-d-xylopyranose
PDB code: 2h5a.

71. Ligand: 15B
N-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
PDB code: 1pzj.

72. Ligand: 16G
N-acetyl-d-glucosamine-6-phosphate
PDB codes: 1i1d, 2o28, 2vxk.

73. Ligand: 233
[5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-
carbamic acid methyl ester
PDB codes: 1md2, 1md2, 1md2.

74. Ligand: 291
prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside
PDB code: 2rid.

75. Ligand: 293
(2s,4r,5s,6r)-6-((s)-1,2-dihydroxyethyl)tetrahydro-2h-pyran-2,4,5-triol
PDB code: 2rie.

76. Ligand: 2OS
3-n-octanoylsucrose
PDB code: 1t3i.

77. Ligand: A24
(3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside
PDB code: 1jr0.

78. Ligand: AD7
octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside
PDB codes: 2rj4, 2rj9.

79. Ligand: AI1
N-benzyl-3-(alpha-d-galactos-1-yl)-benzamide
PDB code: 1fd7.

80. Ligand: BHE
octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
PDB codes: 2riy, 2rj1, 2rj6, 2rj8.

81. Ligand: BHG
2-hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
PDB codes: 1lzi, 1lzj, 1pp9, 1ppj, 1wt1, 1wt3, 2a06.

82. Ligand: CBS
Di(n-acetyl-d-glucosamine)
PDB codes: 1c7s, 1c7t, 1qbb.

83. Ligand: DA8
octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside
PDB code: 2rj7.

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

85. Ligand: DMU
Decyl-beta-d-maltopyranoside
PDB code: 2gsm.

86. Ligand: DR4
Methyl 9-(beta-d-talopyranosyloxy)nonanoate
PDB codes: 1zjo, 1zjp.

87. Ligand: DR5
Methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside
PDB code: 2a8u.

88. Ligand: FFC
2-deoxy-2-fluoro-b-d-cellobioside
PDB code: 1e0v.

89. Ligand: FNG
5-aminocarbonyl-3-nitrophenyl-alpha-d-galactopyranose
PDB code: 1llr.

90. Ligand: FXP
2-deoxy-2-fluoro-4-o-beta-d-xylopyranosyl-alpha-d-xylopyranose
PDB codes: 1h4g, 1qh6.

91. Ligand: GAA
Metanitrophenyl-alpha-d-galactoside
PDB code: 1eei.

92. Ligand: GAT
4'-aminophenyl-alpha-d-galactopyranoside
PDB code: 1efi.

93. Ligand: J15
N-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide
PDB code: 1pzj.

94. Ligand: KDA
(3-deoxy-d-manno-oct-2-ulosonic acid)-2-o-allyl
PDB codes: 2r1w, 2r1x, 3bpc.

95. Ligand: KDE
prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid
PDB code: 2r2e.

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

97. Ligand: KO2
prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid
PDB code: 2r2h.

98. Ligand: LMT
Dodecyl-beta-d-maltoside
PDB code: 3cay.

99. Ligand: LMU
Dodecyl-alpha-d-maltoside
PDB codes: 1exa, 1exx, 1fcx, 1fcy, 1fcz, 1fd0.

100. Ligand: NGT
3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol
PDB code: 1hp5.

101. Ligand: NLC
2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose
PDB codes: 1zi3, 1zj1, 2vs4.

102. Ligand: SMD
Methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside
PDB code: 1x9d.

103. Ligand: SOG
2-hydroxymethyl-6-octylsulfanyl-tetrahydro-pyran-3,4,5-triol
PDB code: 1va5.

104. Ligand: UNF
4-o-(4-deoxy-beta-l-threo-hex-4-enopyranuronosyl)-beta-d-galactopyranuronic acid
PDB code: 2w47.

105. Ligand: XIL
3-hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one
PDB code: 1j01.