Receptor
PDB id Resolution Class Description Source Keywords
3AQX 2.05 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF BOMBYX MORI BETA-GRP/GNBP3 N-TERMINAL D LAMINARIHEXAOSES BOMBYX MORI BETA-SANDWICH IMMUNE RECEPTOR BETA-13-GLUCAN SUGAR BINDIPROTEIN
Ref.: STRUCTURAL INSIGHTS INTO RECOGNITION OF TRIPLE-HELI BETA-GLUCANS BY AN INSECT FUNGAL RECEPTOR J.BIOL.CHEM. V. 286 29158 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC BGC BGC BGC C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
990.861 n/a O(C1O...
GOL B:103;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AQX 2.05 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF BOMBYX MORI BETA-GRP/GNBP3 N-TERMINAL D LAMINARIHEXAOSES BOMBYX MORI BETA-SANDWICH IMMUNE RECEPTOR BETA-13-GLUCAN SUGAR BINDIPROTEIN
Ref.: STRUCTURAL INSIGHTS INTO RECOGNITION OF TRIPLE-HELI BETA-GLUCANS BY AN INSECT FUNGAL RECEPTOR J.BIOL.CHEM. V. 286 29158 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 3AQX - BGC BGC BGC BGC BGC BGC 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 420 families.
1 3AQZ - BGC BGC BGC BGC BGC BGC n/a n/a
2 3AQX - BGC BGC BGC BGC BGC BGC 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 319 families.
1 3AQZ - BGC BGC BGC BGC BGC BGC n/a n/a
2 3AQX - BGC BGC BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC BGC BGC BGC; Similar ligands found: 231
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC 1 1
2 BGC BGC BGC GLC BGC BGC 1 1
3 GLC GLC GLC GLC 1 1
4 GLC GLC BGC 1 1
5 BGC BGC BGC BGC BGC BGC 1 1
6 GLC BGC BGC BGC BGC BGC BGC 1 1
7 NGR 0.888889 1
8 MAN GLC 0.888889 1
9 GLC BGC 0.888889 1
10 M3M 0.888889 1
11 GLC GLC 0.888889 1
12 GLA GAL 0.888889 1
13 GLA GLA 0.888889 1
14 LB2 0.888889 1
15 P3M 0.754386 0.767442
16 GLA GAL GAL 0.709091 1
17 BMA MAN MAN MAN 0.696429 1
18 BGC BGC BGC BGC BGC BGC BGC BGC 0.689655 1
19 NAG GAL GAL NAG GAL 0.647059 0.6875
20 MAN MMA 0.641509 0.942857
21 MDM 0.641509 0.942857
22 M13 0.641509 0.942857
23 GAL MBG 0.641509 0.942857
24 MAN BMA MAN 0.627119 1
25 MAN MAN MAN 0.627119 1
26 MAN MAN MAN GLC 0.622951 1
27 M5S 0.619048 1
28 MAN BMA MAN MAN MAN 0.619048 1
29 GAL GAL SO4 0.606557 0.66
30 BMA MAN 0.584906 1
31 2M4 0.584906 1
32 BGC GLC 0.584906 1
33 BQZ 0.58 0.909091
34 CGC 0.576271 0.941176
35 MAN BMA NAG 0.575758 0.733333
36 GLA GAL NAG 0.575758 0.733333
37 GAL BGC 0.545455 1
38 MAL 0.545455 1
39 B2G 0.545455 1
40 CBK 0.545455 1
41 BGC BMA 0.545455 1
42 MAB 0.545455 1
43 LAT 0.545455 1
44 BMA BMA 0.545455 1
45 N9S 0.545455 1
46 LBT 0.545455 1
47 CBI 0.545455 1
48 BGC GAL 0.545455 1
49 GLC GAL 0.545455 1
50 BMA GAL 0.545455 1
51 CE8 0.534483 1
52 CTR 0.534483 1
53 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
54 GLC BGC BGC BGC BGC 0.534483 1
55 GAL GAL GAL 0.534483 1
56 MTT 0.534483 1
57 GLC GLC GLC GLC GLC 0.534483 1
58 MAN MAN BMA BMA BMA BMA 0.534483 1
59 GLA GAL GLC 0.534483 1
60 MT7 0.534483 1
61 MAN BMA BMA BMA BMA BMA 0.534483 1
62 B4G 0.534483 1
63 BGC GLC GLC GLC GLC GLC GLC 0.534483 1
64 CT3 0.534483 1
65 MAN BMA BMA 0.534483 1
66 CEX 0.534483 1
67 BGC BGC BGC GLC 0.534483 1
68 GLA GAL BGC 0.534483 1
69 BMA BMA BMA 0.534483 1
70 CE5 0.534483 1
71 BMA BMA BMA BMA BMA 0.534483 1
72 BGC GLC GLC GLC GLC 0.534483 1
73 BMA BMA BMA BMA BMA BMA 0.534483 1
74 GLC BGC GLC 0.534483 1
75 MAN BMA BMA BMA BMA 0.534483 1
76 BGC GLC GLC 0.534483 1
77 CTT 0.534483 1
78 BGC GLC GLC GLC 0.534483 1
79 BGC BGC GLC 0.534483 1
80 BMA MAN BMA 0.534483 1
81 MLR 0.534483 1
82 GLC BGC BGC BGC 0.534483 1
83 GLC GAL GAL 0.534483 1
84 CEY 0.534483 1
85 BGC BGC BGC BGC 0.534483 1
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.534483 1
87 GLC BGC BGC BGC BGC BGC 0.534483 1
88 GLC BGC BGC 0.534483 1
89 BGC BGC BGC 0.534483 1
90 CE6 0.534483 1
91 DXI 0.534483 1
92 MAN MAN BMA MAN 0.530303 1
93 MAN MAN MAN MAN 0.530303 1
94 BMA MAN MAN MAN MAN 0.521739 1
95 TRE 0.520833 1
96 GAL NAG GAL GLC 0.520548 0.733333
97 BGC GAL NAG GAL 0.520548 0.733333
98 BGC BGC 0.517241 0.914286
99 GAL NGA GLA BGC GAL 0.513158 0.733333
100 GLA NAG GAL FUC 0.513158 0.717391
101 GAL FUC 0.508475 0.941176
102 LAT NAG GAL 0.506667 0.733333
103 GLC GAL NAG GAL 0.506667 0.733333
104 LAT GLA 0.5 1
105 GAL AAL GAL AAL GAL AAL 0.493333 0.891892
106 AAL GAL AAL GLA 0.493333 0.891892
107 AAL GAL AAL GAL 0.493333 0.891892
108 NAG GAL GAL NAG 0.493333 0.6875
109 GAL NAG GAL NAG GAL NAG 0.493333 0.673469
110 BMA BMA MAN 0.491803 1
111 MAN MAN BMA 0.491803 1
112 GAL NGA A2G 0.485714 0.6875
113 MAN MMA MAN 0.484848 0.942857
114 FUC GLC BGC GAL 0.484848 0.970588
115 FUC BGC GAL 0.484848 0.970588
116 GAL NAG 0.484375 0.733333
117 GAL NGA 0.484375 0.733333
118 NAG GAL 0.484375 0.733333
119 GAL A2G 0.484375 0.733333
120 BGC BGC BGC BGC BGC 0.483871 1
121 BGC BGC BGC BGC BGC BGC BGC 0.483871 1
122 U63 0.483333 0.891892
123 NGA GLA GAL BGC 0.480519 0.733333
124 MAN MAN MAN BMA MAN 0.479452 1
125 GLA EGA 0.47541 0.942857
126 DR5 0.474576 0.942857
127 MMA MAN 0.474576 0.942857
128 GLA MBG 0.473684 0.942857
129 NAG GAL BGC 0.472973 0.733333
130 FUC BGC GAL NAG GAL 0.470588 0.717391
131 GLA GAL FUC 0.469697 0.970588
132 FUC GLA GLA 0.469697 0.970588
133 GLA GLA FUC 0.469697 0.970588
134 FUC GAL GLA 0.469697 0.970588
135 GAL GAL FUC 0.469697 0.970588
136 47N 0.46875 0.891892
137 AAL GAL 0.46875 0.891892
138 GAL NAG GAL BGC 0.468354 0.702128
139 MAN MAN MAN MAN MAN MAN MAN 0.467532 1
140 DOM 0.466667 0.942857
141 NAG NAG BMA MAN 0.463415 0.634615
142 NOY BGC 0.460317 0.702128
143 BMA BMA MAN GLA GLA 0.455882 1
144 MAN MAN MAN MAN MAN MAN MAN MAN 0.452381 0.846154
145 NAG MAN BMA 0.452055 0.733333
146 OPM MAN MAN 0.452055 0.804878
147 5QP 0.451613 0.885714
148 FUC BGC GAL NAG 0.451219 0.717391
149 RZM 0.45 0.688889
150 T6P 0.45 0.767442
151 GLA MAN ABE 0.444444 0.916667
152 BMA IFM 0.444444 0.711111
153 MAL EDO 0.444444 0.942857
154 9MR 0.444444 0.744186
155 IFM BMA 0.444444 0.711111
156 IFM BGC 0.444444 0.711111
157 BGC OXZ 0.444444 0.666667
158 MAN 7D1 0.442623 0.888889
159 A2G GAL 0.441176 0.653061
160 G2F BGC BGC BGC BGC BGC 0.441176 0.868421
161 NLC 0.439394 0.733333
162 GAL MGC 0.439394 0.702128
163 GAL NDG 0.439394 0.733333
164 WZ3 0.438356 0.916667
165 GLC DMJ 0.4375 0.695652
166 FMO 0.4375 0.868421
167 MAN MNM 0.4375 0.702128
168 NOJ GLC 0.4375 0.695652
169 NAG GAL NAG 0.434211 0.6875
170 XYT 0.432836 0.767442
171 BMA BMA BMA GLA BMA 0.430556 1
172 BMA BMA GLA BMA BMA 0.430556 1
173 GLC GLC XYP 0.428571 1
174 W9T 0.428571 0.842105
175 BMA FRU 0.428571 0.842105
176 FRU GAL 0.428571 0.842105
177 GLA MAN RAM RAM ABE MAN GLA 0.425532 0.868421
178 BGC BGC ZZ1 0.425 0.767442
179 4MU MAN MAN 0.425 0.767442
180 MAN G63 0.424242 0.653061
181 GDQ GLC 0.424242 0.666667
182 BGC GLA GAL FUC 0.421053 0.970588
183 NAG BMA 0.42029 0.653061
184 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418605 0.6875
185 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418605 0.6875
186 NAG BMA MAN MAN MAN MAN 0.418605 0.733333
187 GLA GAL BGC 5VQ 0.41791 0.891892
188 GLA GAL NAG FUC GAL GLC 0.417582 0.717391
189 FUC GAL NAG GAL FUC 0.416667 0.702128
190 GLC GLC GLC BGC 0.416667 1
191 KHO 0.409836 0.888889
192 LAK 0.409836 1
193 GLA GLC 0.409836 1
194 MAN MAN 0.409836 1
195 GAL GAL 0.409836 1
196 MAN BMA 0.409836 1
197 GLA BMA 0.409836 1
198 GAL GLC 0.409836 1
199 GLA BGC 0.409836 1
200 BMA GLA 0.409836 1
201 BGC GLA 0.409836 1
202 MLB 0.409836 1
203 ABL 0.409091 0.702128
204 MVP 0.409091 0.733333
205 GAL GLC NAG GAL FUC 0.409091 0.717391
206 GLC NAG GAL GAL FUC 0.409091 0.717391
207 FUC GAL NAG GAL BGC 0.409091 0.717391
208 G3I 0.408451 0.767442
209 G2I 0.408451 0.767442
210 OXZ BGC BGC 0.408451 0.6875
211 GIV 0.408163 0.848485
212 WOO 0.408163 0.848485
213 BMA 0.408163 0.848485
214 GAL 0.408163 0.848485
215 GLA 0.408163 0.848485
216 BGC 0.408163 0.848485
217 GXL 0.408163 0.848485
218 MAN 0.408163 0.848485
219 GLC 0.408163 0.848485
220 ALL 0.408163 0.848485
221 GAL BGC BGC XYS 0.407895 0.942857
222 MAN DGO 0.40625 0.914286
223 GLA MMA ABE 0.405405 0.868421
224 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.942857
225 NAG NAG BMA MAN MAN 0.404494 0.6875
226 GAL BGC NAG NAG GAL GAL 0.404494 0.6875
227 3MG 0.403846 0.857143
228 SOR GLC GLC 0.402778 0.970588
229 2M8 0.4 0.911765
230 ISX 0.4 0.761905
231 GLA GAL GLC NBU 0.4 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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