Receptor
PDB id Resolution Class Description Source Keywords
4JJJ 1.6 Å EC: 3.2.1.91 THE STRUCTURE OF T. FUSCA GH48 D224N MUTANT THERMOBIFIDA FUSCA GH48 (A/A)6 CELLOBIOHYDROLASE HYDROLASE
Ref.: CEL48A FROM THERMOBIFIDA FUSCA: STRUCTURE AND SITE MUTAGENESIS OF KEY RESIDUES. BIOTECHNOL.BIOENG. V. 111 664 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:705;
A:706;
A:707;
A:704;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NA A:708;
A:709;
A:710;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
ZN A:723;
A:732;
A:722;
A:719;
A:730;
A:720;
A:721;
A:717;
A:733;
A:724;
A:734;
A:728;
A:716;
A:727;
A:726;
A:718;
A:731;
A:725;
A:729;
A:735;
A:715;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
Invalid;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
FE A:711;
A:713;
A:714;
A:712;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
ACT A:737;
A:736;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
EDO A:738;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
BGC BGC BGC BGC BGC BGC D:1;
Valid;
none;
submit data
990.861 n/a O(C1O...
BGC BGC B:1;
Valid;
none;
submit data
326.298 n/a O(C1C...
GLC BGC C:1;
Valid;
none;
submit data
342.297 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JJJ 1.6 Å EC: 3.2.1.91 THE STRUCTURE OF T. FUSCA GH48 D224N MUTANT THERMOBIFIDA FUSCA GH48 (A/A)6 CELLOBIOHYDROLASE HYDROLASE
Ref.: CEL48A FROM THERMOBIFIDA FUSCA: STRUCTURE AND SITE MUTAGENESIS OF KEY RESIDUES. BIOTECHNOL.BIOENG. V. 111 664 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4JJJ - BGC 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 17 families.
1 4JJJ - BGC BGC BGC BGC BGC BGC n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1FBO - GLO GLC n/a n/a
2 1F9O - V3P BGC BGC n/a n/a
3 1FAE - GLC GLC n/a n/a
4 1FBW - GLC GLC GLC n/a n/a
5 1FCE - MGL SGC BGC BGC n/a n/a
6 2QNO - SGC BGC SGC BGC SGC BGC SGC BGC SGC n/a n/a
7 1F9D - GLC GLC GLC GLC n/a n/a
8 1G9J - SGC BGC SGC BGC SGC BGC SGC BGC n/a n/a
9 4XWM - BGC BGC n/a n/a
10 4FUS - BGC BGC n/a n/a
11 5YJ6 - 33O C26 H54 O14 C(COCCOCCO....
12 1L2A - BGC BGC BGC BGC BGC BGC n/a n/a
13 1L1Y - BGC BGC n/a n/a
14 4JJJ - 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
Ligand no: 2; Ligand: BGC BGC; Similar ligands found: 226
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC 1 1
2 AGL GLC 0.607143 0.772727
3 GAL NAG GAL BGC 0.605634 0.723404
4 GAL BGC BGC XYS 0.590909 0.916667
5 G2F BGC BGC BGC BGC BGC 0.57377 0.846154
6 NAG BMA 0.57377 0.708333
7 BGC BGC XYS BGC XYS GAL 0.573333 0.944444
8 N9S 0.566038 0.914286
9 GLC GAL 0.566038 0.914286
10 BMA BMA 0.566038 0.914286
11 GAL BGC 0.566038 0.914286
12 B2G 0.566038 0.914286
13 CBK 0.566038 0.914286
14 BMA GAL 0.566038 0.914286
15 LAT 0.566038 0.914286
16 CBI 0.566038 0.914286
17 BGC GAL 0.566038 0.914286
18 MAB 0.566038 0.914286
19 MAL 0.566038 0.914286
20 BGC BMA 0.566038 0.914286
21 LBT 0.566038 0.914286
22 LAT GLA 0.54717 0.914286
23 TRE 0.543478 0.914286
24 BGC BGC BGC XYS GAL 0.541667 0.916667
25 BQZ 0.54 0.882353
26 M3M 0.537037 0.914286
27 GLC BGC 0.537037 0.914286
28 GLA GLA 0.537037 0.914286
29 LB2 0.537037 0.914286
30 MAN GLC 0.537037 0.914286
31 NGR 0.537037 0.914286
32 GLA GAL 0.537037 0.914286
33 GLC GLC 0.537037 0.914286
34 KHO 0.527273 0.864865
35 GLC BGC BGC BGC 0.526316 0.914286
36 CE6 0.526316 0.914286
37 GLC BGC BGC BGC BGC BGC 0.526316 0.914286
38 BGC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
39 CE8 0.526316 0.914286
40 MAN BMA BMA BMA BMA 0.526316 0.914286
41 BMA BMA BMA BMA BMA 0.526316 0.914286
42 BGC BGC BGC BGC 0.526316 0.914286
43 BMA BMA BMA BMA BMA BMA 0.526316 0.914286
44 GLC GAL GAL 0.526316 0.914286
45 CTT 0.526316 0.914286
46 U63 0.526316 0.820513
47 GLC BGC BGC BGC BGC 0.526316 0.914286
48 CT3 0.526316 0.914286
49 BGC GLC GLC 0.526316 0.914286
50 BGC BGC BGC 0.526316 0.914286
51 DXI 0.526316 0.914286
52 MT7 0.526316 0.914286
53 BGC GLC GLC GLC GLC 0.526316 0.914286
54 BMA MAN BMA 0.526316 0.914286
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
56 MLR 0.526316 0.914286
57 GLC BGC BGC 0.526316 0.914286
58 GAL GAL GAL 0.526316 0.914286
59 GLC GLC GLC GLC GLC 0.526316 0.914286
60 MAN MAN BMA BMA BMA BMA 0.526316 0.914286
61 MAN BMA BMA BMA BMA BMA 0.526316 0.914286
62 CE5 0.526316 0.914286
63 GLA GAL GLC 0.526316 0.914286
64 B4G 0.526316 0.914286
65 BGC GLC GLC GLC 0.526316 0.914286
66 MTT 0.526316 0.914286
67 CEY 0.526316 0.914286
68 GLC BGC GLC 0.526316 0.914286
69 BMA BMA BMA 0.526316 0.914286
70 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.526316 0.914286
71 GLA GAL BGC 0.526316 0.914286
72 CTR 0.526316 0.914286
73 MAN BMA BMA 0.526316 0.914286
74 BGC BGC GLC 0.526316 0.914286
75 BGC BGC BGC GLC 0.526316 0.914286
76 CEX 0.526316 0.914286
77 NOJ GLC 0.525424 0.755556
78 BGC GLC 0.518519 0.914286
79 BMA MAN 0.518519 0.914286
80 2M4 0.518519 0.914286
81 DR5 0.517857 0.864865
82 RZM 0.517857 0.711111
83 MMA MAN 0.517857 0.864865
84 GLC BGC BGC BGC BGC BGC BGC 0.517241 0.914286
85 GLC GLC BGC 0.517241 0.914286
86 GLC GLC GLC 0.517241 0.914286
87 BGC BGC BGC GLC BGC BGC 0.517241 0.914286
88 BGC BGC BGC BGC BGC BGC 0.517241 0.914286
89 5QP 0.517241 0.970588
90 GLC GLC GLC GLC 0.517241 0.914286
91 DOM 0.508772 0.916667
92 IFM BGC 0.508475 0.733333
93 IFM BMA 0.508475 0.733333
94 MAL EDO 0.508475 0.916667
95 BMA IFM 0.508475 0.733333
96 GLA GAL GAL 0.508197 0.914286
97 QPU 0.507246 0.790698
98 BGC BGC XYS XYS GAL 0.506494 0.916667
99 GLC DMJ 0.5 0.755556
100 BGC BGC BGC XYS BGC BGC 0.5 0.916667
101 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.5 0.916667
102 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.5 0.916667
103 A2G GAL 0.5 0.708333
104 GAL BGC BGC BGC XYS BGC XYS 0.493671 0.916667
105 BGC BGC BGC XYS BGC XYS GAL 0.493671 0.916667
106 BMA BMA MAN GLA GLA 0.492308 0.914286
107 GLA EGA 0.491525 0.864865
108 GAL MBG 0.491228 0.864865
109 MAN MMA 0.491228 0.864865
110 M13 0.491228 0.864865
111 MDM 0.491228 0.864865
112 GLA MBG 0.490909 0.864865
113 GLC GLC XYP 0.484848 0.914286
114 9MR 0.483333 0.767442
115 BGC OXZ 0.483333 0.6875
116 BGC BGC XYS BGC XYS XYS GAL 0.481481 0.916667
117 GAL NAG GAL 0.479452 0.723404
118 BGC BGC BGC BGC BGC BGC BGC BGC 0.476923 0.914286
119 GAL NDG 0.47619 0.680851
120 NLC 0.47619 0.680851
121 NOY BGC 0.47541 0.653061
122 FMO 0.47541 0.8
123 MAN MNM 0.47541 0.653061
124 GAL FUC 0.474576 0.861111
125 NAG NAG BMA 0.472973 0.653846
126 NAG NDG BMA 0.472973 0.653846
127 GLC BGC BGC XYS BGC XYS XYS GAL 0.46988 0.916667
128 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.46988 0.916667
129 GAL XYS XYS BGC BGC XYS BGC BGC 0.46988 0.916667
130 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.46988 0.916667
131 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.46988 0.916667
132 GAL BGC BGC BGC XYS XYS 0.46988 0.916667
133 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.46988 0.916667
134 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.46988 0.916667
135 XYS GAL GLC BGC BGC XYS BGC XYS 0.46988 0.916667
136 MVP 0.467742 0.717391
137 ABL 0.467742 0.6875
138 CGC 0.467742 0.861111
139 G3I 0.462687 0.75
140 OXZ BGC BGC 0.462687 0.673469
141 G2I 0.462687 0.75
142 MAN G63 0.460317 0.708333
143 MAN MAN BMA 0.459016 0.914286
144 BMA BMA MAN 0.459016 0.914286
145 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.458824 0.916667
146 MAN 7D1 0.457627 0.916667
147 AHR XYS XYS 0.455882 0.891892
148 FUC GLC BGC GAL 0.454545 0.888889
149 FUC BGC GAL 0.454545 0.888889
150 GLC BDF 0.453125 0.944444
151 8VZ 0.453125 0.627451
152 BMA MAN MAN MAN 0.453125 0.914286
153 GLA GAL BGC 5VQ 0.453125 0.820513
154 BGC BGC BGC BGC BGC BGC BGC 0.451613 0.914286
155 BGC BGC BGC BGC BGC 0.451613 0.914286
156 GLC GLC XYS 0.449275 0.888889
157 BGC BGC BGC XYS BGC XYS XYS 0.447368 0.916667
158 BGC BGC XYS BGC XYS BGC XYS 0.447368 0.916667
159 XYS BGC BGC XYS BGC BGC XYS 0.447368 0.916667
160 XYS BGC BGC XYS BGC XYS BGC 0.447368 0.916667
161 GLC BGC BGC XYS BGC XYS XYS 0.447368 0.916667
162 MAN MAN MAN 0.446154 0.914286
163 MAN BMA MAN 0.446154 0.914286
164 BGC BGC XYS BGC 0.445946 0.916667
165 LSE 0.442857 0.64
166 BMA BMA BMA GLA BMA 0.442857 0.914286
167 BMA BMA GLA BMA BMA 0.442857 0.914286
168 W9T 0.442623 0.820513
169 FRU GAL 0.442623 0.820513
170 BMA FRU 0.442623 0.820513
171 FUC GLA GLA 0.439394 0.888889
172 GAL GAL FUC 0.439394 0.888889
173 GLA GLA FUC 0.439394 0.888889
174 FUC GAL GLA 0.439394 0.888889
175 GLA GAL FUC 0.439394 0.888889
176 NAG NAG BMA MAN 0.439024 0.653846
177 AHR XYP XYP XYP 0.438356 0.891892
178 GDQ GLC 0.4375 0.6875
179 MAN BMA NAG 0.43662 0.680851
180 GLA GAL NAG 0.43662 0.680851
181 GLA MMA ABE 0.43662 0.846154
182 XYS GAL FUC 0.43662 0.916667
183 GLA MAN ABE 0.43662 0.891892
184 GLA GAL GLC NBU 0.432836 0.780488
185 GAL GAL SO4 0.432836 0.615385
186 GAL NAG 0.430769 0.680851
187 GAL NGA 0.430769 0.680851
188 GAL A2G 0.430769 0.680851
189 NAG GAL 0.430769 0.680851
190 GAL MGC 0.430769 0.653061
191 GLC IFM 0.428571 0.711111
192 MAN IFM 0.428571 0.711111
193 MAN MAN MAN GLC 0.426471 0.914286
194 BGC BGC BGC FRU 0.426471 0.846154
195 UMQ 0.42029 0.767442
196 LMU 0.42029 0.767442
197 DMU 0.42029 0.767442
198 LMT 0.42029 0.767442
199 MAN DGO 0.419355 0.888889
200 10M 0.416667 0.717391
201 T6P 0.416667 0.711111
202 SOR GLC GLC 0.414286 0.942857
203 CM5 0.413333 0.868421
204 BGC GLA GAL FUC 0.413333 0.888889
205 ISX 0.412698 0.744186
206 GYP 0.411765 0.833333
207 AMG 0.411765 0.833333
208 MMA 0.411765 0.833333
209 MBG 0.411765 0.833333
210 NAG GAL GAL NAG GAL 0.410256 0.64
211 FUC NAG GLA GAL 0.409639 0.6875
212 GLC GLC GLC BGC 0.408451 0.914286
213 GAL NOK 0.408451 0.62963
214 M5S 0.408451 0.914286
215 MAN BMA MAN MAN MAN 0.408451 0.914286
216 EBG 0.40678 0.864865
217 GAL NAG MAN 0.405405 0.680851
218 AHR XYS XYP XYP XYP 0.405405 0.891892
219 XYT 0.402985 0.711111
220 GLO GLC GLC GLC 0.402778 0.942857
221 SOR GLC GLC GLC 0.402778 0.942857
222 6UZ 0.402778 0.825
223 GAL BGC NAG GAL 0.402597 0.680851
224 GLC 7LQ 0.4 0.861111
225 3CU GLC 0.4 0.634615
226 P3M 0.4 0.711111
Ligand no: 3; Ligand: GLC BGC; Similar ligands found: 271
No: Ligand ECFP6 Tc MDL keys Tc
1 M3M 1 1
2 LB2 1 1
3 GLA GLA 1 1
4 MAN GLC 1 1
5 GLC BGC 1 1
6 GLC GLC 1 1
7 NGR 1 1
8 GLA GAL 1 1
9 BGC BGC BGC BGC BGC BGC 0.888889 1
10 GLC BGC BGC BGC BGC BGC BGC 0.888889 1
11 BGC BGC BGC GLC BGC BGC 0.888889 1
12 GLC GLC BGC 0.888889 1
13 GLC GLC GLC GLC 0.888889 1
14 GLC GLC GLC 0.888889 1
15 BMA MAN MAN MAN 0.764706 1
16 MAN MAN MAN 0.685185 1
17 MAN BMA MAN 0.685185 1
18 P3M 0.666667 0.767442
19 GAL GAL SO4 0.660714 0.66
20 BQZ 0.644444 0.909091
21 CGC 0.62963 0.941176
22 GLA GAL GAL 0.618182 1
23 MAN BMA MAN MAN MAN 0.616667 1
24 M5S 0.616667 1
25 2M4 0.612245 1
26 BGC GLC 0.612245 1
27 BMA MAN 0.612245 1
28 GAL MBG 0.607843 0.942857
29 M13 0.607843 0.942857
30 MAN MMA 0.607843 0.942857
31 MDM 0.607843 0.942857
32 BGC BGC BGC BGC BGC BGC BGC BGC 0.603448 1
33 GLC GAL 0.6 1
34 BGC BMA 0.6 1
35 N9S 0.6 1
36 CBI 0.6 1
37 GAL BGC 0.6 1
38 BMA BMA 0.6 1
39 LBT 0.6 1
40 BGC GAL 0.6 1
41 CBK 0.6 1
42 LAT 0.6 1
43 B2G 0.6 1
44 MAB 0.6 1
45 MAL 0.6 1
46 BMA GAL 0.6 1
47 MAN BMA BMA 0.584906 1
48 BMA BMA BMA BMA BMA 0.584906 1
49 MTT 0.584906 1
50 CE6 0.584906 1
51 GAL GAL GAL 0.584906 1
52 BMA BMA BMA BMA BMA BMA 0.584906 1
53 B4G 0.584906 1
54 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.584906 1
55 BGC BGC GLC 0.584906 1
56 MLR 0.584906 1
57 BGC BGC BGC GLC 0.584906 1
58 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.584906 1
59 MAN BMA BMA BMA BMA 0.584906 1
60 GLC BGC BGC BGC 0.584906 1
61 GLA GAL BGC 0.584906 1
62 CTT 0.584906 1
63 MAN MAN BMA BMA BMA BMA 0.584906 1
64 BGC GLC GLC 0.584906 1
65 BGC GLC GLC GLC 0.584906 1
66 BMA MAN BMA 0.584906 1
67 BMA BMA BMA 0.584906 1
68 CEY 0.584906 1
69 DXI 0.584906 1
70 CE8 0.584906 1
71 MAN BMA BMA BMA BMA BMA 0.584906 1
72 GLC GAL GAL 0.584906 1
73 BGC GLC GLC GLC GLC 0.584906 1
74 GLC BGC BGC 0.584906 1
75 CE5 0.584906 1
76 GLA GAL GLC 0.584906 1
77 GLC GLC GLC GLC GLC 0.584906 1
78 GLC BGC GLC 0.584906 1
79 CTR 0.584906 1
80 GLC BGC BGC BGC BGC BGC 0.584906 1
81 BGC BGC BGC 0.584906 1
82 CEX 0.584906 1
83 BGC BGC BGC BGC 0.584906 1
84 CT3 0.584906 1
85 BGC GLC GLC GLC GLC GLC GLC 0.584906 1
86 MT7 0.584906 1
87 GLC BGC BGC BGC BGC 0.584906 1
88 TRE 0.581395 1
89 NAG GAL GAL NAG GAL 0.573529 0.6875
90 BMA MAN MAN MAN MAN 0.5625 1
91 GAL FUC 0.555556 0.941176
92 GLA NAG GAL FUC 0.549296 0.717391
93 LAT GLA 0.54902 1
94 MAN MAN MAN GLC 0.540984 1
95 BGC BGC 0.537037 0.914286
96 U63 0.527273 0.891892
97 GAL A2G 0.525424 0.733333
98 GAL NGA 0.525424 0.733333
99 NAG GAL 0.525424 0.733333
100 GAL NAG 0.525424 0.733333
101 FUC BGC GAL 0.52459 0.970588
102 FUC GLC BGC GAL 0.52459 0.970588
103 MAN MAN MAN MAN 0.52381 1
104 MAN MAN BMA MAN 0.52381 1
105 GLA MBG 0.519231 0.942857
106 DR5 0.518519 0.942857
107 MMA MAN 0.518519 0.942857
108 GLA EGA 0.517857 0.942857
109 DOM 0.509091 0.942857
110 BMA BMA MAN 0.508772 1
111 MAN MAN BMA 0.508772 1
112 AAL GAL 0.508475 0.891892
113 47N 0.508475 0.891892
114 GLA GLA FUC 0.508197 0.970588
115 GLA GAL FUC 0.508197 0.970588
116 FUC GAL GLA 0.508197 0.970588
117 GAL GAL FUC 0.508197 0.970588
118 FUC GLA GLA 0.508197 0.970588
119 BGC BGC BGC BGC BGC 0.5 1
120 MAN BMA NAG 0.5 0.733333
121 BGC BGC BGC BGC BGC BGC BGC 0.5 1
122 NOY BGC 0.5 0.702128
123 MAN MAN MAN MAN MAN MAN MAN 0.5 1
124 GAL NGA A2G 0.5 0.6875
125 GLA GAL NAG 0.5 0.733333
126 BMA BMA MAN GLA GLA 0.492063 1
127 5QP 0.491228 0.885714
128 T6P 0.490909 0.767442
129 RZM 0.490909 0.688889
130 NAG MAN BMA 0.485294 0.733333
131 BGC OXZ 0.482759 0.666667
132 IFM BMA 0.482759 0.711111
133 BMA IFM 0.482759 0.711111
134 IFM BGC 0.482759 0.711111
135 9MR 0.482759 0.744186
136 MAL EDO 0.482759 0.942857
137 GLA MAN ABE 0.477612 0.916667
138 A2G GAL 0.47619 0.653061
139 G2F BGC BGC BGC BGC BGC 0.47619 0.868421
140 MAN MMA MAN 0.47619 0.942857
141 GAL NDG 0.47541 0.733333
142 NLC 0.47541 0.733333
143 MAN MNM 0.474576 0.702128
144 FMO 0.474576 0.868421
145 GLC DMJ 0.474576 0.695652
146 NOJ GLC 0.474576 0.695652
147 MAN MAN MAN BMA MAN 0.471429 1
148 XYT 0.467742 0.767442
149 FRU GAL 0.465517 0.842105
150 BMA FRU 0.465517 0.842105
151 W9T 0.465517 0.842105
152 BMA BMA GLA BMA BMA 0.462687 1
153 BMA BMA BMA GLA BMA 0.462687 1
154 MAN MAN MAN MAN MAN MAN MAN MAN 0.4625 0.846154
155 GLC GLC XYP 0.461538 1
156 MAN G63 0.459016 0.653061
157 GDQ GLC 0.459016 0.666667
158 MAN 7D1 0.45614 0.888889
159 GXL 0.454545 0.848485
160 WOO 0.454545 0.848485
161 ALL 0.454545 0.848485
162 MAN 0.454545 0.848485
163 GLC 0.454545 0.848485
164 GAL 0.454545 0.848485
165 GIV 0.454545 0.848485
166 BGC 0.454545 0.848485
167 BMA 0.454545 0.848485
168 GLA 0.454545 0.848485
169 NAG BMA 0.453125 0.653061
170 BGC GAL NAG GAL 0.452055 0.733333
171 GAL NAG GAL GLC 0.452055 0.733333
172 GLA GAL BGC 5VQ 0.451613 0.891892
173 GAL MGC 0.451613 0.702128
174 GLC GLC GLC BGC 0.447761 1
175 GAL NGA GLA BGC GAL 0.447368 0.733333
176 3MG 0.446809 0.857143
177 LAK 0.446429 1
178 MLB 0.446429 1
179 MAN MAN 0.446429 1
180 GLA BMA 0.446429 1
181 KHO 0.446429 0.888889
182 GAL GAL 0.446429 1
183 MAN BMA 0.446429 1
184 GLA BGC 0.446429 1
185 GLA GLC 0.446429 1
186 BGC GLA 0.446429 1
187 BMA GLA 0.446429 1
188 GAL GLC 0.446429 1
189 FUC GAL NAG GAL FUC 0.443038 0.702128
190 MVP 0.442623 0.733333
191 ABL 0.442623 0.702128
192 MAN DGO 0.440678 0.914286
193 LAT NAG GAL 0.44 0.733333
194 GLC GAL NAG GAL 0.44 0.733333
195 OXZ BGC BGC 0.439394 0.6875
196 G2I 0.439394 0.767442
197 G3I 0.439394 0.767442
198 GYP 0.4375 0.857143
199 MMA 0.4375 0.857143
200 AMG 0.4375 0.857143
201 MBG 0.4375 0.857143
202 GAL BGC BGC XYS 0.43662 0.942857
203 ISX 0.433333 0.761905
204 SOR GLC GLC 0.432836 0.970588
205 GLC GLC GLC GLC BGC 0.431034 1
206 GLC GLC GLC GLC GLC BGC 0.431034 1
207 BMA MAN MAN 0.431034 1
208 GLA GAL GLC NBU 0.430769 0.846154
209 BGC GLA GAL FUC 0.430556 0.970588
210 WZ3 0.428571 0.916667
211 8VZ 0.428571 0.673469
212 GAL AAL GAL AAL GAL AAL 0.426667 0.891892
213 GAL NAG GAL NAG GAL NAG 0.426667 0.673469
214 AAL GAL AAL GLA 0.426667 0.891892
215 AAL GAL AAL GAL 0.426667 0.891892
216 NAG GAL GAL NAG 0.426667 0.6875
217 GLC GLC XYS 0.426471 0.970588
218 MAN IFM 0.42623 0.727273
219 GLC IFM 0.42623 0.727273
220 BGC BGC BGC FRU 0.424242 0.868421
221 OPM MAN MAN 0.422535 0.804878
222 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.421053 0.942857
223 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.421053 0.942857
224 BGC BGC BGC XYS GAL 0.421053 0.942857
225 BGC BGC BGC XYS BGC BGC 0.421053 0.942857
226 GLO GLC GLC GLC 0.42029 0.970588
227 LSE 0.42029 0.6875
228 SOR GLC GLC GLC 0.42029 0.970588
229 GLC 7LQ 0.419355 0.885714
230 GAL NGT 0.41791 0.66
231 DMU 0.41791 0.785714
232 LMT 0.41791 0.785714
233 UMQ 0.41791 0.785714
234 NGT GAL 0.41791 0.66
235 LMU 0.41791 0.785714
236 TUR 0.416667 0.842105
237 BTU 0.416667 0.842105
238 GLO GLC GLC 0.416667 0.942857
239 GLC FRU 0.416667 0.842105
240 NGA GLA GAL BGC 0.415584 0.733333
241 GLA MMA ABE 0.414286 0.868421
242 FUC BGC GAL NAG GAL 0.411765 0.717391
243 2M8 0.410714 0.911765
244 BGC RAM BGC GAD 0.409639 0.846154
245 GLC BDF 0.40625 0.916667
246 SIA NAG GAL GAL 0.40625 0.622642
247 NAG GAL BGC 0.405405 0.733333
248 GLA MAN RAM ABE 0.405063 0.891892
249 GAL NAG GAL BGC 0.405063 0.702128
250 RIB 0.404762 0.742857
251 FUB 0.404762 0.742857
252 32O 0.404762 0.742857
253 BDR 0.404762 0.742857
254 AHR 0.404762 0.742857
255 Z6J 0.404762 0.742857
256 NAG MAN BMA MAN NAG GAL 0.404494 0.6875
257 M1P 0.403846 0.697674
258 XGP 0.403846 0.697674
259 GL1 0.403846 0.697674
260 G1P 0.403846 0.697674
261 FUC NDG GAL 0.402778 0.717391
262 GAL NAG MAN 0.402778 0.733333
263 GAL NDG FUC 0.402778 0.717391
264 FUC NAG GAL 0.402778 0.717391
265 NAG NAG BMA MAN 0.402439 0.634615
266 FUC GAL 0.4 0.941176
267 LAG 0.4 0.6
268 GAL NAG GAL 0.4 0.702128
269 6UZ 0.4 0.846154
270 RGG 0.4 0.882353
271 GAL BGC NAG GAL 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JJJ; Ligand: CBK; 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: 4jjj.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JJJ; Ligand: CE6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4jjj.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4JJJ; Ligand: CBI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4jjj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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