Receptor
PDB id Resolution Class Description Source Keywords
5AWQ 1.48 Å EC: 7.-.-.- ARTHROBACTER GLOBIFORMIS T6 ISOMALTO-DEXTRANSE COMPLEXED WIT ARTHROBACTER GLOBIFORMIS TIM BARREL GLYCOSIDE HYDROLASE GH27 CARBOHYDRATE BINDING CBM35 HYDROLASE
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF ISOMALTO-DEXTRANASE, A MEMBER OF GLYCOSIDE HYDROLAS 27 J.BIOL.CHEM. V. 290 26339 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC A:704;
Valid;
none;
submit data
358.296 n/a O1C(O...
PO4 A:706;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
GLC GLC GLC A:701;
Valid;
none;
submit data
504.438 n/a O1C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AWQ 1.48 Å EC: 7.-.-.- ARTHROBACTER GLOBIFORMIS T6 ISOMALTO-DEXTRANSE COMPLEXED WIT ARTHROBACTER GLOBIFORMIS TIM BARREL GLYCOSIDE HYDROLASE GH27 CARBOHYDRATE BINDING CBM35 HYDROLASE
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF ISOMALTO-DEXTRANASE, A MEMBER OF GLYCOSIDE HYDROLAS 27 J.BIOL.CHEM. V. 290 26339 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5AWQ - GLC GLC GLC n/a n/a
2 5AWP - BGC GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5AWQ - GLC GLC GLC n/a n/a
2 5AWP - BGC GLC n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5AWQ - GLC GLC GLC n/a n/a
2 5AWP - BGC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Ligand no: 2; Ligand: GLC GLC GLC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AWQ; Ligand: GLC GLC GLC; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 5awq.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M12 7D0 0.0001167 0.44568 5.56522
2 3A23 GAL 0.00003075 0.44171 9.67213
3 3S5Y DGJ 0.001635 0.40258 11.3065
4 1UAS GLA 0.00004473 0.44679 19.8895
5 4NZF ARB 0.0004345 0.40495 39.5089
Pocket No.: 2; Query (leader) PDB : 5AWQ; Ligand: GLC GLC; Similar sites found: 31
This union binding pocket(no: 2) in the query (biounit: 5awq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KRG SAH 0.008127 0.41158 1.07296
2 2EFX NFA 0.01785 0.40714 1.92837
3 3EMZ HXH 0.01483 0.40598 2.1148
4 3B9O FMN 0.01924 0.41636 2.29508
5 5BQS 4VN 0.02329 0.42576 2.78638
6 3O8M BGC 0.002489 0.40548 2.8866
7 3O8M GLC 0.002489 0.40548 2.8866
8 2ZJ1 ARJ 0.003906 0.48024 3.0303
9 2ZJ1 NAD 0.00923 0.43962 3.0303
10 2YNE YNE 0.01401 0.47331 3.125
11 2YNE NHW 0.01401 0.47331 3.125
12 1SO0 GAL 0.008704 0.40936 3.48837
13 2GVC FAD 0.02836 0.40229 3.80313
14 1FH8 XYP XIF 0.01749 0.40103 3.84615
15 4YUW S4M 0.01775 0.44206 3.94737
16 4YUW 4JU 0.01799 0.44206 3.94737
17 1H74 ILE 0.02256 0.4131 4.05405
18 4M0F 1YK 0.03189 0.42601 4.05904
19 3RZ3 U94 0.005352 0.43525 4.37158
20 3EXS 5RP 0.03614 0.40128 4.97738
21 4CNO 9PY 0.008802 0.42274 5.15873
22 5DXI TRE 0.01503 0.40648 6.29139
23 1TB4 PEJ 0.04316 0.41274 6.469
24 5AEW BNL 0.01072 0.41285 7.44681
25 4EWN 0VR 0.01046 0.41567 7.50988
26 5F7U GLC GLC 0.000004144 0.56143 8.03279
27 5X7Q GLC GLC 0.000000001328 0.73164 9.5082
28 5X7Q GLC 0.0000008526 0.59736 9.5082
29 4QB6 GCU XYP 0.00007061 0.50047 29.2683
30 2W47 UNF 0.00003663 0.53556 38.1944
31 2VZR GCU 0.0000182 0.51195 41.7323
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