Receptor
PDB id Resolution Class Description Source Keywords
1GU3 2.3 Å EC: 3.2.1.4 CBM4 STRUCTURE AND FUNCTION CELLULOMONAS FIMI CARBOHYDRATE-BINDING MODULE CARBOHYDRATE BINDING MODULE CBM GLUCAN CELLULOSE
Ref.: DIFFERENTIAL OLIGOSACCHARIDE RECOGNITION BY EVOLUTIONARILY-RELATED BETA-1,4 AND BETA-1,3 GLUCAN-BINDING MODULES J.MOL.BIOL. V. 319 1143 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC BGC BGC A:601;
Valid;
none;
Kd = 47.62 uM
828.72 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GU3 2.3 Å EC: 3.2.1.4 CBM4 STRUCTURE AND FUNCTION CELLULOMONAS FIMI CARBOHYDRATE-BINDING MODULE CARBOHYDRATE BINDING MODULE CBM GLUCAN CELLULOSE
Ref.: DIFFERENTIAL OLIGOSACCHARIDE RECOGNITION BY EVOLUTIONARILY-RELATED BETA-1,4 AND BETA-1,3 GLUCAN-BINDING MODULES J.MOL.BIOL. V. 319 1143 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 1GU3 Kd = 47.62 uM BGC BGC BGC BGC BGC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 38 families.
1 1GU3 Kd = 47.62 uM BGC BGC BGC BGC BGC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1GU3 Kd = 47.62 uM BGC BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC BGC BGC; Similar ligands found: 193
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC BGC BGC BGC BGC 1 1
2 BGC BGC BGC BGC BGC 1 1
3 MAN MAN BMA 0.978723 1
4 BMA BMA MAN 0.978723 1
5 MAN MAN MAN GLC 0.836364 1
6 BMA MAN 0.791667 1
7 2M4 0.791667 1
8 BGC GLC 0.791667 1
9 BMA MAN MAN MAN 0.672414 1
10 GLA MBG 0.592593 0.942857
11 FUC GAL 0.568965 0.941176
12 GAL NAG MAN 0.565217 0.733333
13 BMA MAN MAN MAN MAN 0.550725 1
14 BQZ 0.528302 0.909091
15 MAL 0.526316 1
16 BMA BMA 0.526316 1
17 LAT 0.526316 1
18 N9S 0.526316 1
19 BMA GAL 0.526316 1
20 B2G 0.526316 1
21 LBT 0.526316 1
22 MAB 0.526316 1
23 CBK 0.526316 1
24 BGC GAL 0.526316 1
25 GAL BGC 0.526316 1
26 CBI 0.526316 1
27 GLC GAL 0.526316 1
28 BGC BMA 0.526316 1
29 BGC GAL FUC 0.522388 0.970588
30 GLC GAL FUC 0.522388 0.970588
31 LAT FUC 0.522388 0.970588
32 FUC GAL GLC BGC 0.522388 0.970588
33 FUC GAL GLC 0.522388 0.970588
34 8B7 0.522388 0.970588
35 MAN MAN MAN MAN MAN MAN MAN 0.513158 1
36 MAN GLC 0.5 1
37 GLA GAL 0.5 1
38 GLC GLC 0.5 1
39 M3M 0.5 1
40 LB2 0.5 1
41 TRE 0.5 1
42 GLC BGC 0.5 1
43 NGR 0.5 1
44 GLA GLA 0.5 1
45 OPM MAN MAN 0.5 0.804878
46 XYS GAL FUC 0.492958 0.942857
47 CE5 0.491803 1
48 BGC GLC GLC GLC GLC 0.491803 1
49 GAL GAL GAL 0.491803 1
50 MAN BMA BMA BMA BMA BMA 0.491803 1
51 BGC GLC GLC 0.491803 1
52 MAN BMA BMA BMA BMA 0.491803 1
53 GLC GLC GLC GLC GLC 0.491803 1
54 MT7 0.491803 1
55 CTT 0.491803 1
56 GLC GAL GAL 0.491803 1
57 BGC BGC BGC 0.491803 1
58 MAN MAN BMA BMA BMA BMA 0.491803 1
59 BMA BMA BMA BMA BMA 0.491803 1
60 CEX 0.491803 1
61 BMA BMA BMA BMA BMA BMA 0.491803 1
62 B4G 0.491803 1
63 CT3 0.491803 1
64 BGC GLC GLC GLC GLC GLC GLC 0.491803 1
65 GLA GAL GLC 0.491803 1
66 MTT 0.491803 1
67 GLC BGC BGC BGC 0.491803 1
68 BMA BMA BMA 0.491803 1
69 CE6 0.491803 1
70 BGC BGC BGC GLC 0.491803 1
71 BGC GLC GLC GLC 0.491803 1
72 BMA MAN BMA 0.491803 1
73 GLC BGC GLC 0.491803 1
74 MLR 0.491803 1
75 CE8 0.491803 1
76 BGC BGC GLC 0.491803 1
77 GLA GAL BGC 0.491803 1
78 DXI 0.491803 1
79 GLC BGC BGC BGC BGC BGC 0.491803 1
80 GLC BGC BGC BGC BGC 0.491803 1
81 CTR 0.491803 1
82 BGC BGC BGC BGC 0.491803 1
83 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.491803 1
84 CEY 0.491803 1
85 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.491803 1
86 GLC BGC BGC 0.491803 1
87 MAN BMA BMA 0.491803 1
88 GLC GLC GLC 0.483871 1
89 BGC BGC BGC BGC BGC BGC 0.483871 1
90 GLC GLC GLC GLC 0.483871 1
91 GLC GLC BGC 0.483871 1
92 GLC BGC BGC BGC BGC BGC BGC 0.483871 1
93 BGC BGC BGC GLC BGC BGC 0.483871 1
94 LAT GLA 0.482759 1
95 GLA GAL FUC 0.477612 0.970588
96 FUC GAL GLA 0.477612 0.970588
97 FUC GLA GLA 0.477612 0.970588
98 GAL GAL FUC 0.477612 0.970588
99 GLA GLA FUC 0.477612 0.970588
100 GLA GAL GAL 0.476923 1
101 U63 0.467742 0.891892
102 GAL FUC 0.467742 0.941176
103 MAN MAN MAN BMA MAN 0.466667 1
104 GLA EGA 0.460317 0.942857
105 DR5 0.459016 0.942857
106 MAN MMA 0.459016 0.942857
107 MDM 0.459016 0.942857
108 M13 0.459016 0.942857
109 GAL MBG 0.459016 0.942857
110 MMA MAN 0.459016 0.942857
111 RZM 0.459016 0.688889
112 MAN MAN MAN MAN MAN MAN MAN MAN 0.458824 0.846154
113 FUL GAL NAG 0.453333 0.717391
114 NAG GAL FUC 0.453333 0.717391
115 FUC GAL NDG 0.453333 0.717391
116 NDG GAL FUC 0.453333 0.717391
117 FUC GAL NAG 0.453333 0.717391
118 GAL NAG FUC 0.453333 0.717391
119 DR2 0.453333 0.717391
120 BGC BGC 0.451613 0.914286
121 DOM 0.451613 0.942857
122 BGC BGC BGC BGC BGC BGC BGC BGC 0.449275 1
123 NLC 0.447761 0.733333
124 GAL NDG 0.447761 0.733333
125 DR3 0.447368 0.717391
126 FMO 0.446154 0.868421
127 MAN MAN MAN BMA MAN MAN MAN 0.445783 0.942857
128 NAG BMA MAN MAN MAN MAN MAN 0.444444 0.733333
129 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.444444 0.733333
130 BMA BMA MAN GLA GLA 0.442857 1
131 NAG BMA MAN MAN MAN MAN MAN MAN 0.43956 0.733333
132 CGC 0.439394 0.941176
133 FUC GAL NDG FUC 0.435897 0.702128
134 FUC NAG GAL FUC 0.435897 0.702128
135 GAL NAG FUC FUC 0.435897 0.702128
136 FUC NDG GAL FUC 0.435897 0.702128
137 GAL NDG FUC FUC 0.435897 0.702128
138 BCW 0.435897 0.702128
139 FUC GAL NAG FUC 0.435897 0.702128
140 BDZ 0.435897 0.702128
141 GAL BGC BGC XYS 0.434211 0.942857
142 GDQ GLC 0.432836 0.666667
143 MAL EDO 0.430769 0.942857
144 FUC GLC BGC GAL 0.428571 0.970588
145 BGC GLA GAL FUC 0.428571 0.970588
146 FUC BGC GAL 0.428571 0.970588
147 GAL NGA 0.426471 0.733333
148 GAL NAG 0.426471 0.733333
149 NAG GAL 0.426471 0.733333
150 GAL A2G 0.426471 0.733333
151 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.425287 0.825
152 NOJ GLC 0.424242 0.695652
153 MAN MAN MAN 0.42029 1
154 MAN BMA MAN 0.42029 1
155 MVP 0.41791 0.733333
156 ABL 0.41791 0.702128
157 GLC NAG GAL GAL FUC 0.41573 0.717391
158 FUC GAL NAG GAL BGC 0.41573 0.717391
159 GAL GLC NAG GAL FUC 0.41573 0.717391
160 W9T 0.415385 0.842105
161 5QP 0.415385 0.885714
162 BMA FRU 0.415385 0.842105
163 FRU GAL 0.415385 0.842105
164 MAN DGO 0.415385 0.914286
165 GLA GAL NAG 0.413333 0.733333
166 GLA MAN ABE 0.413333 0.916667
167 MAN BMA NAG 0.413333 0.733333
168 MAN MAN BMA MAN 0.410959 1
169 MAN MAN MAN MAN 0.410959 1
170 IFM BGC 0.409091 0.711111
171 BMA IFM 0.409091 0.711111
172 9MR 0.409091 0.744186
173 IFM BMA 0.409091 0.711111
174 BGC OXZ 0.409091 0.666667
175 GAL GAL SO4 0.408451 0.66
176 G2F BGC BGC BGC BGC BGC 0.408451 0.868421
177 A2G GAL 0.408451 0.653061
178 AMG 0.407407 0.857143
179 MBG 0.407407 0.857143
180 GYP 0.407407 0.857143
181 MMA 0.407407 0.857143
182 8VZ 0.405797 0.673469
183 GLA GAL BGC 5VQ 0.405797 0.891892
184 MAN MNM 0.402985 0.702128
185 NOY BGC 0.402985 0.702128
186 GLC DMJ 0.402985 0.695652
187 NAG MAN BMA 0.402597 0.733333
188 NAG BMA MAN MAN NAG GAL NAG GAL 0.4 0.673469
189 NAG MAN MAN MAN NAG GAL NAG GAL 0.4 0.673469
190 GAL BGC NAG GAL 0.4 0.733333
191 MAN BMA NAG NAG MAN NAG GAL GAL 0.4 0.673469
192 BMA BMA BMA GLA BMA 0.4 1
193 BMA BMA GLA BMA BMA 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GU3; Ligand: BGC BGC BGC BGC BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1gu3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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