Receptor
PDB id Resolution Class Description Source Keywords
1JS4 2 Å EC: 3.2.1.4 ENDO/EXOCELLULASE:CELLOBIOSE FROM THERMOMONOSPORA THERMOBIFIDA FUSCA GLYCOSYL HYDROLASE
Ref.: STRUCTURE AND MECHANISM OF ENDO/EXOCELLULASE E4 FROM THERMOMONOSPORA FUSCA. NAT.STRUCT.BIOL. V. 4 810 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC B:6015;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
BGC BGC B:6011;
Valid;
none;
submit data
342.297 n/a O(C1O...
BGC BGC BGC A:6001;
Valid;
none;
submit data
504.438 n/a O(C1O...
CA A:6166;
A:6168;
B:7166;
B:7168;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JS4 2 Å EC: 3.2.1.4 ENDO/EXOCELLULASE:CELLOBIOSE FROM THERMOMONOSPORA THERMOBIFIDA FUSCA GLYCOSYL HYDROLASE
Ref.: STRUCTURE AND MECHANISM OF ENDO/EXOCELLULASE E4 FROM THERMOMONOSPORA FUSCA. NAT.STRUCT.BIOL. V. 4 810 1997
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1JS4 - BGC BGC n/a n/a
2 4TF4 - BGC BGC BGC GLC n/a n/a
3 3TF4 - BGC BGC BGC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 1JS4 - BGC BGC n/a n/a
2 4TF4 - BGC BGC BGC GLC n/a n/a
3 3TF4 - BGC BGC BGC n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1IA7 - BGC BGC n/a n/a
2 1JS4 - BGC BGC n/a n/a
3 4TF4 - BGC BGC BGC GLC n/a n/a
4 3TF4 - BGC BGC BGC n/a n/a
5 4DOE - CBK C12 H22 O11 C([C@@H]1[....
6 1KFG - SGC BGC SGC GS1 n/a n/a
7 1GA2 - BGC BGC n/a n/a
8 1K72 - CBI C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: BGC BGC; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN 1 1
2 BGC BGC 1 1
3 2M4 1 1
4 BMA BMA MAN 0.886364 0.970588
5 MAN MAN BMA 0.808511 1
6 MAN MAN MAN GLC 0.690909 1
7 FUC GAL 0.66 0.941176
8 GAL NAG MAN 0.612903 0.733333
9 MAN NAG GAL 0.612903 0.733333
10 BGC GLC 0.612245 1
11 GLC BGC 0.612245 1
12 B2G 0.612245 1
13 GLA GAL 0.612245 1
14 LAT 0.612245 1
15 GLC GAL 0.612245 1
16 CBK 0.612245 1
17 BGC GAL 0.612245 1
18 MAL MAL 0.612245 0.970588
19 GLA GLA 0.612245 1
20 GAL GLC 0.612245 1
21 BMA GAL 0.612245 1
22 MAB 0.612245 1
23 GAL BGC 0.612245 1
24 CBI 0.612245 1
25 BMA BMA 0.612245 1
26 BGC BMA 0.612245 1
27 LB2 0.612245 1
28 MAN GLC 0.612245 1
29 LBT 0.612245 1
30 N9S 0.612245 1
31 M3M 0.612245 1
32 MAL 0.612245 1
33 TRE 0.595238 1
34 GLA MBG 0.591837 0.942857
35 BGC BGC BGC ASO BGC BGC ASO 0.584906 1
36 GLC BGC BGC BGC BGC BGC BGC 0.584906 1
37 BGC BGC BGC 0.584906 1
38 BGC BGC BGC GLC BGC BGC 0.584906 1
39 BGC BGC BGC BGC BGC 0.584906 1
40 GLC BGC BGC BGC 0.584906 1
41 M6P MAN MAN 0.580645 0.785714
42 BMA MAN MAN 0.571429 1
43 GLA GAL GLC 0.566038 1
44 BGC GLC GLC GLC 0.566038 1
45 GAL GAL GAL 0.566038 1
46 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.566038 1
47 BGC BGC BGC BGC BGC BGC 0.566038 1
48 BMA MAN BMA 0.566038 1
49 GLC BGC BGC BGC BGC 0.566038 1
50 CE6 0.566038 1
51 BGC GLC GLC GLC GLC GLC GLC 0.566038 1
52 MTT 0.566038 1
53 GLC BGC BGC 0.566038 1
54 CEY 0.566038 1
55 MT7 0.566038 1
56 CE5 0.566038 1
57 BMA BMA BMA BMA BMA BMA 0.566038 1
58 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.566038 1
59 BGC BGC BGC GLC 0.566038 1
60 GLC GLC GLC GLC GLC GLC GLC GLC 0.566038 1
61 MLR 0.566038 1
62 BMA BMA BMA 0.566038 1
63 CEX 0.566038 1
64 BGC GLC GLC 0.566038 1
65 CTR 0.566038 1
66 BGC GLC GLC GLC GLC 0.566038 1
67 GLC BGC GLC 0.566038 1
68 CT3 0.566038 1
69 GLC GLC BGC GLC GLC GLC GLC 0.566038 1
70 MAN MAN BMA BMA BMA BMA 0.566038 1
71 CTT 0.566038 1
72 DXI 0.566038 1
73 MAN BMA BMA BMA BMA 0.566038 1
74 GLC GAL GAL 0.566038 1
75 BMA BMA BMA BMA BMA 0.566038 1
76 B4G 0.566038 1
77 MAN BMA BMA 0.566038 1
78 GLC BGC BGC BGC BGC BGC 0.566038 1
79 CE8 0.566038 1
80 GLC GLC GLC GLC GLC GLC GLC 0.566038 1
81 GLC GLC GLC GLC GLC 0.566038 1
82 GLC GLC BGC 0.566038 1
83 LAT GLA 0.56 1
84 MAN BMA BMA BMA BMA BMA 0.553571 0.970588
85 BMA BMA BMA BMA BMA BMA MAN 0.553571 0.970588
86 BGC BGC GLC 0.553571 1
87 MAN NAG 0.551724 0.733333
88 GLA GAL GAL 0.54386 1
89 GLA GAL BGC 0.54386 1
90 GAL GAL FUC 0.542373 0.970588
91 GLA GAL FUC 0.542373 0.970588
92 GLA GLA FUC 0.542373 0.970588
93 FUC GLA GLA 0.542373 0.970588
94 FUC GAL GLA 0.542373 0.970588
95 U63 0.537037 0.891892
96 GAL FUC 0.537037 0.941176
97 RZM 0.528302 0.688889
98 M13 0.528302 0.942857
99 MDM 0.528302 0.942857
100 GAL MBG 0.528302 0.942857
101 DR5 0.528302 0.942857
102 MMA MAN 0.528302 0.942857
103 GLA EGA 0.527273 0.942857
104 DOM 0.518519 0.942857
105 BMA MAN 0.518519 0.914286
106 FMO 0.508772 0.868421
107 A2G GAL 0.508475 0.733333
108 GAL A2G 0.508475 0.733333
109 GAL NGA 0.508475 0.733333
110 BGC BGC BGC BGC BGC BGC BGC BGC 0.508197 1
111 BGC BGC BGC BGC 0.508197 1
112 MAL EDO 0.491228 0.942857
113 GLA MAN ABE 0.484848 0.916667
114 NDG GAL 0.483333 0.733333
115 GAL NDG 0.483333 0.733333
116 NLC 0.483333 0.733333
117 NOJ GLC 0.482759 0.727273
118 AMG 0.478261 0.857143
119 MMA 0.478261 0.857143
120 GYP 0.478261 0.857143
121 MBG 0.478261 0.857143
122 GAL NGA A2G 0.476923 0.673469
123 ABL 0.474576 0.702128
124 MVP 0.474576 0.733333
125 CGC 0.474576 0.941176
126 5QP 0.473684 0.885714
127 FRU GAL 0.473684 0.842105
128 NOY BGC 0.473684 0.75
129 BMA FRU 0.473684 0.842105
130 T6P 0.472727 0.767442
131 GLC GLC GLC GLC GLC GLC 0.46875 1
132 GAL GAL SO4 0.467742 0.702128
133 BMA IFM 0.465517 0.744186
134 MAN MNM 0.465517 0.75
135 IFM BMA 0.465517 0.744186
136 9MR 0.465517 0.744186
137 BGC OXZ 0.465517 0.666667
138 IFM BGC 0.465517 0.744186
139 FUC BGC GAL 0.460317 0.970588
140 G2F BGC BGC BGC BGC BGC 0.460317 0.868421
141 GLA GAL BGC 5VQ 0.459016 0.891892
142 GLC DMJ 0.457627 0.727273
143 MAN DGO 0.448276 0.914286
144 BMA BMA GLA BMA BMA 0.447761 1
145 2GS 0.446809 0.857143
146 GLC GLC XYP 0.446154 1
147 P3M 0.446154 0.767442
148 GAL BGC BGC XYS 0.442857 0.942857
149 GLA GAL NAG 0.441176 0.733333
150 NAG GAL GAL 0.441176 0.733333
151 MAN BMA NAG 0.441176 0.733333
152 MAN MAN MAN MAN 0.439394 1
153 SOR GLC GLC 0.439394 0.970588
154 MAN MAN BMA MAN 0.439394 1
155 MAN 7D1 0.438596 0.888889
156 NAG BMA 0.4375 0.653061
157 GLC GLC GLC GLC 0.4375 1
158 GLA GAL GLC NBU 0.4375 0.846154
159 MAN MAN MAN BMA MAN 0.43662 1
160 8VZ 0.435484 0.673469
161 GAL MGC 0.435484 0.702128
162 GLC GLC GLC BGC 0.432836 1
163 MAN BMA MAN MAN MAN 0.432836 1
164 M5S 0.432836 1
165 MAN 0.431818 0.848485
166 GAL 0.431818 0.848485
167 BMA 0.431818 0.848485
168 ALL 0.431818 0.848485
169 WOO 0.431818 0.848485
170 GXL 0.431818 0.848485
171 GLC 0.431818 0.848485
172 GLA 0.431818 0.848485
173 BGC 0.431818 0.848485
174 GIV 0.431818 0.848485
175 BGC BGC G2F SHG 0.430556 0.846154
176 MLB 0.428571 1
177 BGC GLA 0.428571 1
178 KHO 0.428571 0.888889
179 GLA BGC 0.428571 1
180 MAN BMA 0.428571 1
181 GAL GAL 0.428571 1
182 LAK 0.428571 1
183 GLA GLC 0.428571 1
184 GLA BMA 0.428571 1
185 BMA GLA 0.428571 1
186 SOR GLC GLC GLC 0.426471 0.970588
187 LAG 0.426471 0.6
188 GAL BGC NAG GAL 0.424658 0.733333
189 OXZ BGC BGC 0.424242 0.6875
190 LAT FUC 0.424242 0.970588
191 BGC GAL FUC 0.424242 0.970588
192 FUC GAL GLC 0.424242 0.970588
193 UMQ 0.424242 0.785714
194 GLC GAL FUC 0.424242 0.970588
195 G3I 0.424242 0.767442
196 DMU 0.424242 0.785714
197 LMU 0.424242 0.785714
198 FUC LAT 0.424242 0.970588
199 LMT 0.424242 0.785714
200 G2I 0.424242 0.767442
201 BTU 0.423729 0.842105
202 TUR 0.423729 0.842105
203 LAT NAG GAL 0.418919 0.733333
204 BGC GAL NAG GAL 0.418919 0.733333
205 GAL NAG GAL BGC 0.418919 0.733333
206 BGC GLA GAL FUC 0.416667 0.970588
207 ISX 0.416667 0.761905
208 MAN MMA MAN 0.415385 0.942857
209 NPJ 0.414286 0.622642
210 GLC GLC GLC 0.413793 1
211 MAN MAN MAN 0.413793 1
212 GLC GLC GLC GLC GLC BGC 0.413793 1
213 GLC GLC GLC GLC BGC 0.413793 1
214 NAG GAL GAL NAG GAL 0.413333 0.6875
215 GLC GLC XYS 0.411765 0.970588
216 G1P 0.411765 0.697674
217 ALX 0.411765 0.697674
218 GL1 0.411765 0.697674
219 BNX 0.411765 0.697674
220 M1P 0.411765 0.697674
221 XGP 0.411765 0.697674
222 56N 0.410714 0.833333
223 MAN IFM 0.409836 0.761905
224 GLC IFM 0.409836 0.761905
225 FUC NDG GAL 0.408451 0.717391
226 OPM MAN MAN 0.408451 0.804878
227 GAL NDG FUC 0.408451 0.717391
228 FUC NAG GAL 0.408451 0.717391
229 GAL NAG FUC 0.408451 0.717391
230 GLC GAL NAG GAL 0.407895 0.733333
231 LSE 0.405797 0.6875
232 6UZ 0.405797 0.846154
233 GLC 7LQ 0.403226 0.885714
234 GAL NGT 0.402985 0.66
235 BMA MVL 0.402985 0.6
236 MVL BMA 0.402985 0.6
237 IDC 0.402985 0.6
238 NGT GAL 0.402985 0.66
239 RCB 0.402778 0.622642
240 GLO GLC GLC 0.402778 0.942857
241 GTM BGC BGC 0.4 0.868421
242 GLC GLC BGC XYS BGC XYS 0.4 0.942857
243 10M 0.4 0.733333
Ligand no: 3; Ligand: BGC BGC BGC; Similar ligands found: 229
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC 1 1
2 GLC BGC BGC BGC 1 1
3 GLC BGC BGC BGC BGC BGC BGC 1 1
4 BGC BGC BGC BGC BGC 1 1
5 BGC BGC BGC ASO BGC BGC ASO 1 1
6 BGC BGC BGC GLC BGC BGC 1 1
7 MAN GLC 0.888889 1
8 M3M 0.888889 1
9 LB2 0.888889 1
10 BGC BGC GLC 0.754717 1
11 P3M 0.754386 0.767442
12 BMA MAN MAN 0.709091 1
13 GLA GAL GAL 0.709091 1
14 GLA GAL BGC 0.709091 1
15 BGC BGC BGC BGC 0.689655 1
16 BGC BGC BGC BGC BGC BGC BGC BGC 0.689655 1
17 NAG GAL GAL NAG GAL 0.647059 0.6875
18 M13 0.641509 0.942857
19 MDM 0.641509 0.942857
20 GAL MBG 0.641509 0.942857
21 MAN MAN MAN GLC 0.622951 1
22 MAN BMA MAN MAN MAN 0.619048 1
23 M5S 0.619048 1
24 GAL GAL SO4 0.616667 0.702128
25 BMA BMA MAN 0.589286 0.970588
26 2M4 0.584906 1
27 BGC BGC 0.584906 1
28 MAN MAN 0.584906 1
29 GLC GLC GLC GLC 0.580645 1
30 CGC 0.576271 0.941176
31 MAN BMA NAG 0.575758 0.733333
32 GLA GAL NAG 0.575758 0.733333
33 NAG GAL GAL 0.575758 0.733333
34 GAL GLC 0.545455 1
35 BGC GAL 0.545455 1
36 GLA GLA 0.545455 1
37 BMA GAL 0.545455 1
38 GAL BGC 0.545455 1
39 CBK 0.545455 1
40 CBI 0.545455 1
41 BGC BMA 0.545455 1
42 MAB 0.545455 1
43 GLA GAL 0.545455 1
44 BMA BMA 0.545455 1
45 GLC GAL 0.545455 1
46 LBT 0.545455 1
47 LAT 0.545455 1
48 BGC GLC 0.545455 1
49 GLC BGC 0.545455 1
50 MAL 0.545455 1
51 N9S 0.545455 1
52 B2G 0.545455 1
53 MAL MAL 0.545455 0.970588
54 MAN BMA BMA BMA BMA 0.534483 1
55 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.534483 1
56 GAL GAL GAL 0.534483 1
57 GLC GAL GAL 0.534483 1
58 GLC GLC BGC 0.534483 1
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
60 GLC GLC GLC GLC GLC 0.534483 1
61 GLA GAL GLC 0.534483 1
62 BMA BMA BMA 0.534483 1
63 BGC BGC BGC BGC BGC BGC 0.534483 1
64 CE6 0.534483 1
65 GLC BGC BGC BGC BGC 0.534483 1
66 MLR 0.534483 1
67 BMA MAN BMA 0.534483 1
68 GLC GLC GLC GLC GLC GLC GLC 0.534483 1
69 CEY 0.534483 1
70 GLC BGC BGC 0.534483 1
71 GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
72 BGC GLC GLC 0.534483 1
73 B4G 0.534483 1
74 MT7 0.534483 1
75 MAN MAN BMA BMA BMA BMA 0.534483 1
76 BMA BMA BMA BMA BMA 0.534483 1
77 CEX 0.534483 1
78 BMA BMA BMA BMA BMA BMA 0.534483 1
79 BGC GLC GLC GLC GLC GLC GLC 0.534483 1
80 BGC GLC GLC GLC GLC 0.534483 1
81 MTT 0.534483 1
82 CE5 0.534483 1
83 CT3 0.534483 1
84 CE8 0.534483 1
85 CTR 0.534483 1
86 CTT 0.534483 1
87 BGC GLC GLC GLC 0.534483 1
88 DXI 0.534483 1
89 GLC BGC GLC 0.534483 1
90 MAN BMA BMA 0.534483 1
91 GLC GLC BGC GLC GLC GLC GLC 0.534483 1
92 GLC BGC BGC BGC BGC BGC 0.534483 1
93 BGC BGC BGC GLC 0.534483 1
94 MAN MAN MAN MAN 0.530303 1
95 MAN MAN BMA MAN 0.530303 1
96 MAN BMA BMA BMA BMA BMA 0.52459 0.970588
97 BMA BMA BMA BMA BMA BMA MAN 0.52459 0.970588
98 TRE 0.520833 1
99 GAL NAG GAL BGC 0.520548 0.733333
100 LAT NAG GAL 0.520548 0.733333
101 BGC GAL NAG GAL 0.520548 0.733333
102 BMA MAN 0.517241 0.914286
103 NAG GAL 0.515625 0.733333
104 NGA GAL 0.515625 0.733333
105 GAL NAG 0.515625 0.733333
106 GLA NAG GAL FUC 0.513158 0.717391
107 GAL NAG GAL FUC 0.513158 0.717391
108 GAL NGA GLA BGC GAL 0.513158 0.733333
109 GAL FUC 0.508475 0.941176
110 GLC GAL NAG GAL 0.506667 0.733333
111 NOY BGC 0.5 0.75
112 LAT GLA 0.5 1
113 GAL AAL GAL AAL GAL AAL 0.493333 0.891892
114 AAL GAL AAL GAL 0.493333 0.891892
115 NAG GAL GAL NAG 0.493333 0.6875
116 GAL NAG GAL NAG GAL NAG 0.493333 0.673469
117 AAL GAL AAL GLA 0.493333 0.891892
118 MAN MAN BMA 0.491803 1
119 MAN MMA MAN 0.484848 0.942857
120 FUC BGC GAL 0.484848 0.970588
121 GAL A2G 0.484375 0.733333
122 A2G GAL 0.484375 0.733333
123 GAL NGA 0.484375 0.733333
124 U63 0.483333 0.891892
125 NGA GLA GAL BGC 0.480519 0.733333
126 MAN MAN MAN BMA MAN 0.479452 1
127 GLA EGA 0.47541 0.942857
128 DR5 0.474576 0.942857
129 MMA MAN 0.474576 0.942857
130 GLA MBG 0.473684 0.942857
131 NAG GAL BGC 0.472973 0.733333
132 FUC BGC GAL NAG GAL 0.470588 0.717391
133 GLA GLA FUC 0.469697 0.970588
134 GAL GAL FUC 0.469697 0.970588
135 GLA GAL FUC 0.469697 0.970588
136 FUC GAL GLA 0.469697 0.970588
137 FUC GLA GLA 0.469697 0.970588
138 47N 0.46875 0.891892
139 AAL GAL 0.46875 0.891892
140 DOM 0.466667 0.942857
141 NAG NAG BMA MAN 0.463415 0.634615
142 NOJ GLC 0.460317 0.727273
143 GLC DMJ 0.460317 0.727273
144 GLA MAN RAM TYV GLA MAN RAM TYV 0.454545 0.868421
145 GLA MAN RAM ABE GLA MAN RAM ABE 0.454545 0.868421
146 MAN MAN MAN MAN MAN MAN MAN MAN 0.452381 0.846154
147 OPM MAN MAN 0.452055 0.804878
148 5QP 0.451613 0.885714
149 FUC BGC GAL NAG 0.451219 0.717391
150 T6P 0.45 0.767442
151 RZM 0.45 0.688889
152 GLC GLC GLC GLC GLC GLC 0.449275 1
153 IFM BGC 0.444444 0.744186
154 IFM BMA 0.444444 0.744186
155 MAN MNM 0.444444 0.75
156 BMA IFM 0.444444 0.744186
157 9MR 0.444444 0.744186
158 GLA MAN ABE 0.444444 0.916667
159 MAL EDO 0.444444 0.942857
160 BGC OXZ 0.444444 0.666667
161 MAN 7D1 0.442623 0.888889
162 G2F BGC BGC BGC BGC BGC 0.441176 0.868421
163 NLC 0.439394 0.733333
164 NDG GAL 0.439394 0.733333
165 GAL NDG 0.439394 0.733333
166 GAL MGC 0.439394 0.702128
167 WZ3 0.438356 0.916667
168 FMO 0.4375 0.868421
169 GAL NGA A2G 0.43662 0.673469
170 NAG GAL NAG 0.434211 0.6875
171 NAG BMA MAN MAN MAN MAN 0.433735 0.733333
172 BMA BMA GLA BMA BMA 0.430556 1
173 AAL GAL AAL GAL AAL GAL AAL GAL 0.430233 0.825
174 GLC GLC XYP 0.428571 1
175 FRU GAL 0.428571 0.842105
176 BMA FRU 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 BGC GLA GAL FUC 0.421053 0.970588
181 NAG BMA 0.42029 0.653061
182 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418605 0.6875
183 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418605 0.6875
184 GLA GAL BGC 5VQ 0.41791 0.891892
185 GLA GAL NAG FUC GAL GLC 0.417582 0.717391
186 GLC GLC GLC BGC 0.416667 1
187 FUC GAL NAG GAL FUC 0.416667 0.702128
188 BGC BGC G2F SHG 0.415584 0.846154
189 NAG BMA MAN MAN MAN MAN MAN 0.4125 0.868421
190 KHO 0.409836 0.888889
191 MAN BMA 0.409836 1
192 BGC GLA 0.409836 1
193 BMA GLA 0.409836 1
194 GLA BGC 0.409836 1
195 GLA BMA 0.409836 1
196 GLA GLC 0.409836 1
197 MLB 0.409836 1
198 LAK 0.409836 1
199 GAL GAL 0.409836 1
200 MVP 0.409091 0.733333
201 ABL 0.409091 0.702128
202 FUC GAL NAG GAL BGC 0.409091 0.717391
203 SGA BGC 0.409091 0.702128
204 G2I 0.408451 0.767442
205 G3I 0.408451 0.767442
206 OXZ BGC BGC 0.408451 0.6875
207 WOO 0.408163 0.848485
208 BGC 0.408163 0.848485
209 GXL 0.408163 0.848485
210 GAL 0.408163 0.848485
211 GLC 0.408163 0.848485
212 ALL 0.408163 0.848485
213 MAN 0.408163 0.848485
214 GLA 0.408163 0.848485
215 BMA 0.408163 0.848485
216 GIV 0.408163 0.848485
217 GAL BGC BGC XYS 0.407895 0.942857
218 MAN DGO 0.40625 0.914286
219 GLA MMA ABE 0.405405 0.868421
220 GLC GLC BGC XYS BGC XYS 0.405063 0.942857
221 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.942857
222 MAN MAN NAG MAN NAG 0.404494 0.6875
223 NAG MAN GAL MAN MAN NAG GAL 0.404494 0.6875
224 NAG NAG BMA MAN MAN 0.404494 0.6875
225 3MG 0.403846 0.857143
226 SOR GLC GLC 0.402778 0.970588
227 GLA GAL GLC NBU 0.4 0.846154
228 2M8 0.4 0.911765
229 ISX 0.4 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JS4; Ligand: BGC BGC; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 1js4.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP4 NAG 0.007908 0.4348 3.49127
2 4UP4 NDG 0.007908 0.4348 3.49127
3 4LWM MHO 0.02207 0.4075 6.91244
4 5D3X 4IP 0.03853 0.40544 7.18563
5 2BOS GLA GAL 0.02975 0.403 8.82353
6 1RQ5 CTT 0.0000005729 0.5606 28.7603
Pocket No.: 2; Query (leader) PDB : 1JS4; Ligand: BGC; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 1js4.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H6S HDH 0.02197 0.41167 1.8711
2 4UP4 NAG 0.008407 0.4348 3.49127
3 4UP4 NDG 0.008407 0.4348 3.49127
4 5D3X 4IP 0.04067 0.40544 7.18563
5 1RQ5 CTT 0.0000006233 0.5616 28.7603
Feedback