Receptor
PDB id Resolution Class Description Source Keywords
5AJB 1.8 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF THE RSL LECTIN IN COMPLEX WITH LEWIS X TETRASACCAHRIDE RALSTONIA SOLANACEARUM SUGAR BINDING PROTEIN LEWIS X BETA-PROPELLER
Ref.: THE HIDDEN CONFORMATION OF LEWIS X, A HUMAN HISTO-B GROUP ANTIGEN, IS A DETERMINANT FOR RECOGNITION BY LECTINS ACS CHEM.BIOL. V. 11 2011 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC NAG GAL B:110;
A:100;
C:110;
B:100;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.028;
none;
none;
none;
submit data
529.492 n/a O=C(N...
FUC NAG C:100;
Valid;
Atoms found LESS than expected: % Diff = 0.04;
submit data
367.351 n/a O=C(N...
FUC NAG GLA GAL A:110;
Valid;
Atoms found LESS than expected: % Diff = 0.043;
Kd = 25.7 uM
661.607 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BS5 2.1 Å NON-ENZYME: BINDING LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH 2- FUCOSYLLACTOSE RALSTONIA SOLANACEARUM SUGAR BINDING PROTEIN SUGAR RECOGNITION BETA-PROPELLER
Ref.: THE FUCOSE-BINDING LECTIN FROM RALSTONIA SOLANACEAR NEW TYPE OF {BETA}-PROPELLER ARCHITECTURE FORMED BY OLIGOMERIZATION AND INTERACTING WITH FUCOSIDE, FUCOSYLLACTOSE, AND PLANT XYLOGLUCAN. J.BIOL.CHEM. V. 280 27839 2005
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 5AJB Kd = 25.7 uM FUC NAG GLA GAL n/a n/a
2 2BT9 Kd = 0.64 uM MFU C7 H14 O5 C[C@H]1[C@....
3 2BS6 - XYS GAL FUC n/a n/a
4 4I6S - FUL C6 H12 O5 C[C@H]1[C@....
5 5AJC - FUC NAG n/a n/a
6 3ZI8 - FU4 C6 H12 O4 C[C@H]1[C@....
7 2BS5 Kd = 250 nM BGC GAL FUC n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3ZWE - FUC C6 H12 O5 C[C@H]1[C@....
2 3ZZV - NAG GAL FUC n/a n/a
3 3ZW2 Kd = 26.1 uM GLA NAG GAL FUC n/a n/a
4 5AJB Kd = 25.7 uM FUC NAG GLA GAL n/a n/a
5 2BT9 Kd = 0.64 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2BS6 - XYS GAL FUC n/a n/a
7 4I6S - FUL C6 H12 O5 C[C@H]1[C@....
8 5AJC - FUC NAG n/a n/a
9 3ZI8 - FU4 C6 H12 O4 C[C@H]1[C@....
10 2BS5 Kd = 250 nM BGC GAL FUC n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3ZWE - FUC C6 H12 O5 C[C@H]1[C@....
2 3ZZV - NAG GAL FUC n/a n/a
3 3ZW2 Kd = 26.1 uM GLA NAG GAL FUC n/a n/a
4 5AJB Kd = 25.7 uM FUC NAG GLA GAL n/a n/a
5 2BT9 Kd = 0.64 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2BS6 - XYS GAL FUC n/a n/a
7 4I6S - FUL C6 H12 O5 C[C@H]1[C@....
8 5AJC - FUC NAG n/a n/a
9 3ZI8 - FU4 C6 H12 O4 C[C@H]1[C@....
10 2BS5 Kd = 250 nM BGC GAL FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC NAG GAL; Similar ligands found: 239
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC NDG GAL 1 1
2 GAL NAG FUC 1 1
3 FUC NAG GAL 1 1
4 GAL NDG FUC 1 1
5 FUC GAL NAG FUC 0.8 0.978723
6 FUC GAL NDG FUC 0.8 0.978723
7 BCW 0.8 0.978723
8 GAL NAG FUC FUC 0.8 0.978723
9 GAL NDG FUC FUC 0.8 0.978723
10 FUC NAG GAL FUC 0.8 0.978723
11 FUC NDG GAL FUC 0.8 0.978723
12 BDZ 0.8 0.978723
13 MAG FUC GAL 0.742857 0.958333
14 GAL NAG GAL FUC 0.679487 1
15 GLA NAG GAL FUC 0.679487 1
16 NAG GAL FUC FUC A2G 0.674699 0.938776
17 FUC GAL NAG A2G FUC 0.674699 0.938776
18 FUC BGC GAL 0.652174 0.73913
19 FUC NAG 0.637681 0.978261
20 FUC NAG GLA GAL 0.626506 0.978723
21 NAG FUC 0.614286 0.956522
22 DR3 0.61039 1
23 NAG GAL FUC 0.61039 1
24 GAL NGA 0.608696 0.978261
25 GAL A2G 0.608696 0.978261
26 A2G GAL 0.608696 0.978261
27 FUC GAL NAG 0.597403 1
28 NDG GAL FUC 0.597403 1
29 DR2 0.597403 1
30 FUC GAL NDG 0.597403 1
31 FUL GAL NAG 0.597403 1
32 FUC GAL MAG FUC 0.594937 0.958333
33 NLC 0.585714 0.978261
34 NDG GAL 0.585714 0.978261
35 GAL NDG 0.585714 0.978261
36 FUC BGC GAL NAG GAL 0.566667 1
37 G4S MAG FUC 0.552941 0.725806
38 GAL NGA A2G 0.552632 0.938776
39 FUC GAL NAG GAL FUC 0.551724 0.978723
40 FUC BGC GAL NAG 0.551724 1
41 FUC GAL GLA 0.547945 0.73913
42 GLA GLA FUC 0.547945 0.73913
43 GAL GAL FUC 0.547945 0.73913
44 GLA GAL FUC 0.547945 0.73913
45 FUC GLA GLA 0.547945 0.73913
46 SGA MAG FUC 0.546512 0.725806
47 NAG FUC SIA GAL 0.538462 0.884615
48 SIA GAL NDG FUC 0.538462 0.884615
49 SIA GLA NAG FUC 0.538462 0.884615
50 FUC NDG GAL SIA 0.538462 0.884615
51 SIA GAL NAG FUC 0.538462 0.884615
52 NDG FUC SIA GAL 0.538462 0.884615
53 BGC GAL NAG GAL FUC FUC 0.531915 0.978723
54 GLC GAL NAG GAL FUC FUC 0.531915 0.978723
55 FUC GL0 A2G 0.530864 1
56 NGA GAL FUC 0.530864 1
57 FUC GAL A2G 0.530864 1
58 A2G GLA FUC 0.530864 1
59 FUC GLA A2G 0.530864 1
60 A2G GAL FUC 0.530864 1
61 GLA GAL NAG 0.518987 0.978261
62 NAG GAL GAL 0.518987 0.978261
63 MAN BMA NAG 0.518987 0.978261
64 BGC FUC GAL FUC A2G 0.511111 0.978723
65 GLC FUC GAL FUC A2G 0.511111 0.978723
66 A2G GAL NAG FUC 0.505495 0.938776
67 8VZ 0.5 0.938776
68 GAL MGC 0.5 0.978723
69 FUC GAL NAG A2G 0.5 0.851852
70 GLA GAL NAG FUC GAL GLC 0.494845 1
71 BGC GLA GAL FUC 0.493976 0.73913
72 FUC GAL NAG GAL BGC 0.489362 1
73 A2G GAL BGC FUC 0.48913 1
74 BGC GAL FUC 0.487179 0.73913
75 LAT FUC 0.487179 0.73913
76 FUC GAL GLC 0.487179 0.73913
77 FUC LAT 0.487179 0.73913
78 GLC GAL FUC 0.487179 0.73913
79 NAG A2G 0.480519 0.958333
80 NAG NGA 0.480519 0.958333
81 FUC GAL 0.478873 0.717391
82 FUC GAL NAG NON FUC 0.474227 0.836364
83 NAG GAL GAL NAG 0.471264 0.958333
84 GAL NAG GAL NAG GAL NAG 0.471264 0.938776
85 MAN NAG GAL 0.46988 0.978261
86 GAL NAG MAN 0.46988 0.978261
87 GAL BGC NAG GAL 0.465116 0.978261
88 G6S NAG 0.464286 0.75
89 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.463918 0.92
90 NAG BMA 0.461538 0.88
91 NAG MUB 0.45977 0.92
92 GAL NAG GAL BGC 0.45977 0.978261
93 BGC GAL NAG GAL 0.45977 0.978261
94 NAG AMU 0.45977 0.92
95 LAT NAG GAL 0.45977 0.978261
96 1GN ACY GAL ACY 1GN BGC GAL BGC 0.452632 0.958333
97 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.452632 0.958333
98 ASG GCD 0.449438 0.709677
99 NGA GC4 SO4 0.449438 0.709677
100 BGB 0.448276 0.648148
101 LOG GAL 0.444444 0.789474
102 GAL LOG 0.444444 0.789474
103 CBS CBS 0.443038 0.958333
104 NAG GDL 0.443038 0.958333
105 NAG NDG 0.443038 0.958333
106 CBS 0.443038 0.958333
107 A2G GAL NAG FUC GAL GLC 0.442308 0.938776
108 GLC GAL NAG GAL FUC A2G 0.442308 0.938776
109 SIA GLA NGS FUC 0.440678 0.71875
110 GAL NGA GLA BGC GAL 0.43956 0.978261
111 GCD ASG 0.43956 0.671875
112 NGK GCD 0.43956 0.671875
113 GAL FUC 0.438356 0.717391
114 NAG GAL GAL NAG GAL 0.438202 0.958333
115 BGA 0.4375 0.836364
116 NAG BMA MAN MAN MAN MAN 0.43617 0.978261
117 GAL TNR 0.435294 0.9
118 NGA SER GAL 0.435294 0.9
119 A2G SER GAL 0.435294 0.9
120 GAL SER A2G 0.435294 0.9
121 GLC GAL NAG GAL 0.433333 0.978261
122 L42 0.433333 0.636364
123 GAL NOK 0.432099 0.8
124 NOK GAL 0.432099 0.8
125 GAL NAG GAL 0.431818 0.9375
126 GAL A2G MBN 0.431818 0.918367
127 XYS GAL FUC 0.428571 0.723404
128 FUC NAG TA5 0.428571 0.681818
129 ASG IDR IDR ASG 0.428571 0.714286
130 NAG NAG BMA 0.426966 0.884615
131 NAG NDG BMA 0.426966 0.884615
132 NAG BDP 0.426829 0.897959
133 NGA GAL BGC 0.423529 0.978261
134 GAL BGC 0.422535 0.717391
135 CBI 0.422535 0.717391
136 MAB 0.422535 0.717391
137 GLC BGC 0.422535 0.717391
138 GLA GLA 0.422535 0.717391
139 N9S 0.422535 0.717391
140 GAL GLC 0.422535 0.717391
141 CBK 0.422535 0.717391
142 GLA GAL 0.422535 0.717391
143 LBT 0.422535 0.717391
144 BGC GLC 0.422535 0.717391
145 BGC GAL 0.422535 0.717391
146 MAL 0.422535 0.717391
147 BMA GAL 0.422535 0.717391
148 BGC BMA 0.422535 0.717391
149 B2G 0.422535 0.717391
150 LAT 0.422535 0.717391
151 GLC GAL 0.422535 0.717391
152 BMA BMA 0.422535 0.717391
153 MAL MAL 0.422535 0.702128
154 NAG NAG NAG NAG NAG 0.421687 0.938776
155 NDG NAG NAG NDG 0.421687 0.938776
156 NAG NAG NAG NAG NAG NAG 0.421687 0.938776
157 NAG NAG NAG NAG NAG NAG NAG NAG 0.421687 0.938776
158 NAG NAG NAG NAG 0.421687 0.938776
159 NDG NAG NAG NDG NAG 0.421687 0.938776
160 NAG NAG NAG 0.421687 0.938776
161 NAG NAG NAG NAG NDG NAG 0.421687 0.938776
162 NAG NAG NAG NDG 0.421687 0.938776
163 NAG NAG NAG NAG NDG 0.421687 0.938776
164 CTO 0.421687 0.938776
165 NAG NAG NDG 0.421687 0.938776
166 NDG NAG NAG 0.421687 0.938776
167 NDG NAG NAG NAG 0.421687 0.938776
168 GAL A2G THR 0.420455 0.92
169 NAG GAL NAG 0.420455 0.958333
170 SIA GAL MAG FUC 0.415929 0.849057
171 FUC GAL NGA 0.41573 0.93617
172 CGC 0.415584 0.717391
173 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.411765 0.978261
174 BHE 0.411765 0.648148
175 MAN MAN NAG MAN NAG 0.41 0.958333
176 NAG NAG BMA MAN MAN 0.41 0.958333
177 BGC BGC 0.408451 0.717391
178 MAN MAN 0.408451 0.717391
179 2M4 0.408451 0.717391
180 FUC BHG 0.404762 0.648148
181 4YA 0.404762 0.648148
182 BHG FUC 0.404762 0.648148
183 NAG GAL BGC 0.404494 0.978261
184 RAM GLC GAL NAG NAG GLC 0.403361 0.884615
185 M3M 0.402778 0.717391
186 MAN GLC 0.402778 0.717391
187 LB2 0.402778 0.717391
188 AMU 0.402597 0.893617
189 NPO A2G GAL 0.402174 0.703125
190 GAL A2G NPO 0.402174 0.703125
191 NAG BDP NAG BDP NAG BDP NAG 0.402062 0.92
192 NAG GCU NAG GCU NAG GCU 5AX 0.402062 0.92
193 BGC GLC GLC GLC GLC 0.4 0.717391
194 MAN BMA BMA BMA BMA 0.4 0.717391
195 BMA BMA BMA BMA BMA 0.4 0.717391
196 CEX 0.4 0.717391
197 MLR 0.4 0.717391
198 B4G 0.4 0.717391
199 BGC GLC GLC 0.4 0.717391
200 GLC GLC GLC GLC GLC GLC GLC 0.4 0.717391
201 GLC GAL GAL 0.4 0.717391
202 NAG MAN MAN MAN NAG GAL NAG GAL 0.4 0.938776
203 MAN MAN BMA BMA BMA BMA 0.4 0.717391
204 GAL GC2 0.4 0.676923
205 GLC GLC BGC 0.4 0.717391
206 NAG MAN GAL BMA NDG MAN NAG GAL 0.4 0.938776
207 GLC BGC BGC BGC BGC BGC 0.4 0.717391
208 DXI 0.4 0.717391
209 GLC BGC BGC 0.4 0.717391
210 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.717391
211 BGC GLC GLC GLC GLC GLC GLC 0.4 0.717391
212 MT7 0.4 0.717391
213 CE5 0.4 0.717391
214 GLC BGC BGC BGC BGC 0.4 0.717391
215 GLA GAL GLC 0.4 0.717391
216 BMA BMA BMA BMA BMA BMA 0.4 0.717391
217 MAN NAG 0.4 0.978261
218 CE6 0.4 0.717391
219 BGC BGC BGC BGC BGC BGC 0.4 0.717391
220 MTT 0.4 0.717391
221 BMA MAN BMA 0.4 0.717391
222 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.717391
223 BGC BGC BGC GLC 0.4 0.717391
224 CEY 0.4 0.717391
225 GLC GLC BGC GLC GLC GLC GLC 0.4 0.717391
226 CTT 0.4 0.717391
227 CT3 0.4 0.717391
228 CTR 0.4 0.717391
229 BMA BMA BMA 0.4 0.717391
230 GLC BGC GLC 0.4 0.717391
231 GLC GLC GLC GLC GLC 0.4 0.717391
232 U63 0.4 0.66
233 MAN BMA BMA 0.4 0.717391
234 GAL GAL GAL 0.4 0.717391
235 CE8 0.4 0.717391
236 MAN BMA NAG NAG MAN NAG GAL GAL 0.4 0.938776
237 NAG MAN GAL BMA NAG MAN NAG GAL 0.4 0.938776
238 BGC GLC GLC GLC 0.4 0.717391
239 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.717391
Ligand no: 2; Ligand: FUC NAG; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC NAG 1 1
2 NAG GAL FUC 0.796875 0.978261
3 DR3 0.796875 0.978261
4 A2G GAL 0.728814 0.956522
5 GAL A2G 0.728814 0.956522
6 GAL NGA 0.728814 0.956522
7 NAG BDP 0.661538 0.916667
8 GAL NGA A2G 0.651515 0.918367
9 NAG FUC 0.650794 0.977778
10 GAL NAG FUC 0.637681 0.978261
11 FUC NAG GAL 0.637681 0.978261
12 GAL NDG FUC 0.637681 0.978261
13 FUC NDG GAL 0.637681 0.978261
14 NAG A2G 0.615385 0.9375
15 NAG NGA 0.615385 0.9375
16 FUC GAL NDG FUC 0.60274 0.957447
17 FUC NAG GAL FUC 0.60274 0.957447
18 BDZ 0.60274 0.957447
19 FUC GAL NAG FUC 0.60274 0.957447
20 GAL NDG FUC FUC 0.60274 0.957447
21 BCW 0.60274 0.957447
22 GAL NAG FUC FUC 0.60274 0.957447
23 FUC NDG GAL FUC 0.60274 0.957447
24 GC4 NAG 0.6 0.916667
25 FUC GLA A2G 0.575342 0.978261
26 A2G GAL FUC 0.575342 0.978261
27 FUC GAL A2G 0.575342 0.978261
28 A2G GLA FUC 0.575342 0.978261
29 FUC GL0 A2G 0.575342 0.978261
30 NGA GAL FUC 0.575342 0.978261
31 FUL GAL NAG 0.561644 0.978261
32 FUC GAL NAG 0.561644 0.978261
33 FUC GAL NDG 0.561644 0.978261
34 DR2 0.561644 0.978261
35 NDG GAL FUC 0.561644 0.978261
36 FUC GAL 0.548387 0.733333
37 UCD 0.547945 0.897959
38 NAG GAD 0.540541 0.88
39 GAD NDG 0.540541 0.88
40 GCD NGA 0.540541 0.88
41 NGA GCD 0.540541 0.88
42 NAG GCU NAG GCU NAG GCU 5AX 0.53012 0.9
43 NAG BDP NAG BDP NAG BDP NAG 0.53012 0.9
44 FUC GAL NAG A2G FUC 0.529412 0.918367
45 NAG GAL FUC FUC A2G 0.529412 0.918367
46 MAG FUC GAL 0.527027 0.9375
47 GLA NAG GAL FUC 0.525 0.978261
48 GAL NAG GAL FUC 0.525 0.978261
49 AMU 0.523077 0.913043
50 1GN ACY GAL ACY 1GN BGC GAL BGC 0.517647 0.9375
51 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.517647 0.9375
52 GAL GAL FUC 0.507246 0.717391
53 GLA GAL FUC 0.507246 0.717391
54 GLA GLA FUC 0.507246 0.717391
55 FUC GLA GLA 0.507246 0.717391
56 FUC GAL GLA 0.507246 0.717391
57 FUC GAL NAG GAL FUC 0.5 0.957447
58 FUC GAL MAG FUC 0.5 0.9375
59 GAL MGC 0.5 0.957447
60 FUC GAL NAG GAL BGC 0.488636 0.978261
61 A2G GAL NAG FUC 0.488372 0.918367
62 NAG BDP NAG BDP 0.483516 0.849057
63 FUC BGC GAL NAG 0.482353 0.978261
64 FUC BGC GAL 0.478873 0.717391
65 GLC FUC GAL FUC A2G 0.476744 0.957447
66 BGC FUC GAL FUC A2G 0.476744 0.957447
67 RAM GLC GAL NAG NAG GLC 0.476636 0.865385
68 SGA MAG FUC 0.47619 0.709677
69 A2G GAL BGC FUC 0.471264 0.978261
70 FUC GAL NAG A2G 0.465909 0.833333
71 G4S MAG FUC 0.464286 0.709677
72 NAG BDP NAG BDP NAG BDP 0.463158 0.865385
73 GLA GAL NAG FUC GAL GLC 0.462366 0.978261
74 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.461538 0.9
75 FUC NAG TA5 0.457831 0.666667
76 GAL NDG 0.457143 0.956522
77 NDG GAL 0.457143 0.956522
78 NLC 0.457143 0.956522
79 FUC BGC GAL NAG GAL 0.450549 0.978261
80 BM3 0.45 0.888889
81 HSQ 0.45 0.888889
82 NAG 0.45 0.888889
83 NGA 0.45 0.888889
84 NDG 0.45 0.888889
85 A2G 0.45 0.888889
86 FUC NAG GLA GAL 0.448276 0.957447
87 BGC GAL FUC 0.445946 0.717391
88 FUC LAT 0.445946 0.717391
89 FUC GAL GLC 0.445946 0.717391
90 LAT FUC 0.445946 0.717391
91 GLC GAL FUC 0.445946 0.717391
92 BGC GAL NAG GAL 0.439024 0.956522
93 GAL NAG GAL BGC 0.439024 0.956522
94 LAT NAG GAL 0.439024 0.956522
95 GLC GAL NAG GAL FUC A2G 0.438776 0.918367
96 A2G GAL NAG FUC GAL GLC 0.438776 0.918367
97 NGA GAL SIA 0.4375 0.865385
98 SIA GAL A2G 0.4375 0.865385
99 GLC GAL NAG GAL FUC FUC 0.43617 0.957447
100 BGC GAL NAG GAL FUC FUC 0.43617 0.957447
101 BGA 0.433333 0.818182
102 NGA SER GAL 0.43038 0.88
103 GAL SER A2G 0.43038 0.88
104 A2G SER GAL 0.43038 0.88
105 GAL TNR 0.43038 0.88
106 FUC GAL NGA 0.426829 0.914894
107 NAG GAL 0.424658 0.956522
108 GAL NAG 0.424658 0.956522
109 NGA GAL 0.424658 0.956522
110 NDG FUC SIA GAL 0.424528 0.865385
111 NAG FUC SIA GAL 0.424528 0.865385
112 FUC NDG GAL SIA 0.424528 0.865385
113 SIA GLA NAG FUC 0.424528 0.865385
114 SIA GAL NDG FUC 0.424528 0.865385
115 SIA GAL NAG FUC 0.424528 0.865385
116 MAN BMA NAG 0.423077 0.956522
117 NAG GAL GAL 0.423077 0.956522
118 GLA GAL NAG 0.423077 0.956522
119 FUC NAG T45 0.422222 0.656716
120 BGC GLA GAL FUC 0.419753 0.717391
121 GAL NGA GLA BGC GAL 0.418605 0.956522
122 GAL A2G THR 0.414634 0.9
123 NGA GC4 SO4 0.411765 0.693548
124 ASG GCD 0.411765 0.693548
125 GAL A2G MBN 0.409639 0.897959
126 ASG 0.405797 0.66129
127 XYS GAL FUC 0.405063 0.702128
128 GCD ASG 0.402299 0.65625
129 NGK GCD 0.402299 0.65625
130 CBS 0.4 0.9375
131 NAG NDG 0.4 0.9375
132 CBS CBS 0.4 0.9375
133 NAG GDL 0.4 0.9375
Ligand no: 3; Ligand: FUC NAG GLA GAL; Similar ligands found: 98
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC NAG GLA GAL 1 1
2 GLA NAG GAL FUC 0.694118 0.978723
3 GAL NAG GAL FUC 0.694118 0.978723
4 MAG FUC GAL 0.666667 0.938776
5 FUC NDG GAL 0.626506 0.978723
6 GAL NAG FUC 0.626506 0.978723
7 FUC NAG GAL 0.626506 0.978723
8 GAL NDG FUC 0.626506 0.978723
9 FUC GAL NAG GAL FUC 0.574468 0.958333
10 FUC GAL MAG FUC 0.544444 0.938776
11 BGC GAL NAG GAL FUC FUC 0.539216 0.958333
12 GLC GAL NAG GAL FUC FUC 0.539216 0.958333
13 FUC BGC GAL 0.53012 0.723404
14 GAL NAG GAL 0.527473 0.958333
15 SGA MAG FUC 0.520833 0.714286
16 KHO 0.513158 0.673469
17 FUC NDG GAL FUC 0.51087 0.958333
18 FUC NAG GAL FUC 0.51087 0.958333
19 BDZ 0.51087 0.958333
20 FUC GAL NDG FUC 0.51087 0.958333
21 BCW 0.51087 0.958333
22 FUC GAL NAG FUC 0.51087 0.958333
23 GAL NDG FUC FUC 0.51087 0.958333
24 GAL NAG FUC FUC 0.51087 0.958333
25 G4S MAG FUC 0.510417 0.714286
26 FUC BGC GAL NAG GAL 0.509804 0.978723
27 FUC BGC GAL NAG 0.48 0.978723
28 NAG FUC 0.465116 0.93617
29 NDG GAL FUC 0.462366 0.978723
30 DR2 0.462366 0.978723
31 FUL GAL NAG 0.462366 0.978723
32 FUC GAL NAG 0.462366 0.978723
33 FUC GAL NDG 0.462366 0.978723
34 FUC GAL NAG A2G FUC 0.461538 0.92
35 NAG GAL FUC FUC A2G 0.461538 0.92
36 FUC GAL NAG NON FUC 0.457944 0.821429
37 A2G GAL FUC 0.457447 0.978723
38 NGA GAL FUC 0.457447 0.978723
39 A2G GLA FUC 0.457447 0.978723
40 FUC GLA A2G 0.457447 0.978723
41 FUC GL0 A2G 0.457447 0.978723
42 FUC GAL A2G 0.457447 0.978723
43 SIA GAL MAG FUC 0.453782 0.867925
44 GLA GAL NAG FUC GAL GLC 0.449541 0.978723
45 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.448598 0.901961
46 GLA GAL FUC 0.448276 0.723404
47 FUC GLA GLA 0.448276 0.723404
48 GAL GAL FUC 0.448276 0.723404
49 FUC NAG 0.448276 0.957447
50 GLA GLA FUC 0.448276 0.723404
51 FUC GAL GLA 0.448276 0.723404
52 GLC FUC GAL FUC A2G 0.446602 0.958333
53 BGC FUC GAL FUC A2G 0.446602 0.958333
54 XYS GAL FUC 0.445652 0.744681
55 FUC GAL NAG GAL BGC 0.443396 0.978723
56 NAG NAG BMA 0.443299 0.903846
57 NAG NDG BMA 0.443299 0.903846
58 NAG BMA 0.443182 0.9
59 DR3 0.442105 0.978723
60 NAG GAL FUC 0.442105 0.978723
61 NLC 0.44186 0.957447
62 GAL MGC 0.44186 0.958333
63 NDG GAL 0.44186 0.957447
64 GAL NDG 0.44186 0.957447
65 FUC GAL NAG A2G 0.438095 0.87037
66 SIA GLA NAG FUC 0.429752 0.903846
67 NAG FUC SIA GAL 0.429752 0.903846
68 SIA GAL NAG FUC 0.429752 0.903846
69 SIA GAL NDG FUC 0.429752 0.903846
70 NDG FUC SIA GAL 0.429752 0.903846
71 FUC NDG GAL SIA 0.429752 0.903846
72 A2G GAL BGC FUC 0.428571 0.978723
73 GAL NGA 0.425287 0.957447
74 8VZ 0.425287 0.92
75 A2G GAL 0.425287 0.957447
76 GAL A2G 0.425287 0.957447
77 MAN NAG GAL 0.421053 0.957447
78 GAL NAG MAN 0.421053 0.957447
79 A2G GAL NAG FUC 0.415094 0.92
80 LAT NAG GAL 0.414141 0.957447
81 GAL NAG GAL BGC 0.414141 0.957447
82 BGC GAL NAG GAL 0.414141 0.957447
83 BGC GLA GAL FUC 0.412371 0.723404
84 NAG GAL GAL NAG GAL 0.41 0.938776
85 BMA MAN 0.409639 0.6875
86 MAN MAN NAG 0.408163 0.958333
87 NAG NAG BMA MAN 0.40566 0.903846
88 GLC GAL NAG GAL FUC A2G 0.405172 0.92
89 A2G GAL NAG FUC GAL GLC 0.405172 0.92
90 GAL A2G MBN 0.40404 0.9
91 GLC GAL FUC 0.402174 0.723404
92 BGC GAL FUC 0.402174 0.723404
93 LAT FUC 0.402174 0.723404
94 FUC GAL GLC 0.402174 0.723404
95 FUC LAT 0.402174 0.723404
96 GLA GAL NAG 0.4 0.957447
97 NAG GAL GAL 0.4 0.957447
98 MAN BMA NAG 0.4 0.957447
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BS5; Ligand: BGC GAL FUC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2bs5.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BS5; Ligand: BGC GAL FUC; Similar sites found: 89
This union binding pocket(no: 2) in the query (biounit: 2bs5.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TKA CTN 0.004267 0.48227 None
2 3KPE TM3 0.0007278 0.47364 None
3 1NU4 MLA 0.001348 0.44253 None
4 3BY8 MLT 0.005768 0.43873 None
5 4CO3 ATP 0.00022 0.43808 None
6 3BHO B4P 0.0237 0.42864 None
7 1QCA FUA 0.0001645 0.42797 None
8 1UO4 PIH 0.02578 0.42666 None
9 4FR3 LYS ARG ARG LYS SEP VAL 0.002875 0.42142 None
10 4FR3 0V4 0.002875 0.42142 None
11 2YLD CMO 0.01336 0.41567 None
12 3H86 AP5 0.001944 0.41161 None
13 4K30 NLG 0.01113 0.40904 None
14 4IAE 1DX 0.004135 0.40573 None
15 2HMT NAI 0.003748 0.40345 None
16 1T26 GBD 0.01874 0.40193 None
17 1T26 NAI 0.01874 0.40193 None
18 4DN8 BMA 0.001472 0.45963 2.22222
19 1MVN FMN 0.0005139 0.42261 2.22222
20 3TA2 ATP 0.0003494 0.42217 2.22222
21 3VCA PRO 0.0064 0.42196 2.22222
22 2A0W DIH 0.0003778 0.4211 2.22222
23 3EJ0 11X 0.006945 0.42042 2.22222
24 3TA2 AKG 0.0002961 0.41772 2.22222
25 3K9W ADE 0.01665 0.40428 2.22222
26 3K9W 4PS 0.01665 0.40428 2.22222
27 1MZV AMP 0.001404 0.43637 3.33333
28 4MOB ADP 0.0009297 0.42623 3.33333
29 1SQ5 PAU 0.01071 0.40975 3.33333
30 3S9K CIT 0.03578 0.40679 3.33333
31 4TMK T5A 0.0193 0.40675 3.33333
32 4KCT PYR 0.0004297 0.46312 4.44444
33 1YBH FAD 0.002745 0.42966 4.44444
34 3GM5 CIT 0.0183 0.40937 4.44444
35 1LTH NAD 0.004237 0.40498 4.44444
36 4B9E FAH 0.02961 0.40478 4.44444
37 1Y7P RIP 0.0001348 0.5261 5.55556
38 1RP0 AHZ 0.0002537 0.45794 5.55556
39 3NOJ PYR 0.003887 0.43141 5.55556
40 4M5P MLA 0.02278 0.42957 5.55556
41 1I2B USQ 0.00609 0.42919 5.55556
42 1I2B UPG 0.00609 0.42919 5.55556
43 1I2B NAD 0.00609 0.42919 5.55556
44 3VHZ L2P GLC MAN SGA 0.003184 0.41825 5.55556
45 3FPZ AHZ 0.01167 0.40372 5.55556
46 2ZO9 MLI 0.0006111 0.44809 6.66667
47 2Q1A 2KT 0.004404 0.43782 6.66667
48 4WVH ASP HIS ASP ALA HIS ALA 0.003371 0.42601 6.66667
49 3HZS M0E 0.002435 0.404 6.66667
50 3VOZ 04A 0.003576 0.40299 6.66667
51 3F81 STT 0.00306 0.46741 7.77778
52 4F8L GAL 0.01033 0.45712 7.77778
53 1YOA FMN 0.01299 0.45151 7.77778
54 3R51 MMA 0.01094 0.43892 7.77778
55 1BTN I3P 0.02423 0.43848 7.77778
56 3MB5 SAM 0.004466 0.40258 7.77778
57 1J2Z SOG 0.0004688 0.43705 8.88889
58 3K3G MMU 0.002914 0.43686 8.88889
59 1GU3 BGC BGC BGC BGC BGC 0.005297 0.42289 8.88889
60 4LHM AZZ 0.0111 0.41404 8.88889
61 1V5F TPP 0.02425 0.4113 8.88889
62 1V5F FAD 0.02425 0.4113 8.88889
63 3NGU ADP 0.006818 0.40038 8.88889
64 1SS4 CIT 0.007003 0.49941 10
65 1SS4 GSH 0.002274 0.49884 10
66 3E5P PPI 0.04313 0.43484 10
67 1O9U ADZ 0.0166 0.42955 10
68 3FS8 ACO 0.004568 0.41726 11.1111
69 1A8S PPI 0.005495 0.41026 11.1111
70 3FS8 TDR 0.007255 0.40836 11.1111
71 4OYA 1VE 0.007327 0.41883 12.2222
72 2ZJ5 ADP 0.01115 0.41395 12.2222
73 1WDA BAG 0.007569 0.41141 12.2222
74 4RJK PYR 0.0361 0.40603 12.2222
75 5DRN 5CT 0.03047 0.41918 13.3333
76 2NS1 ADP 0.000531 0.41644 13.3333
77 2V5E SCR 0.01565 0.43841 14.4444
78 4JCA CIT 0.03416 0.42 15.5556
79 2RCN GDP 0.0106 0.40098 15.5556
80 2ZWS PLM 0.007675 0.46441 16.6667
81 4NAO AKG 0.01922 0.41379 16.6667
82 3RF4 FUN 0.01372 0.40513 16.6667
83 4M51 BEZ 0.02913 0.4107 17.7778
84 1H16 DTL 0.02734 0.41831 18.8889
85 2XD9 XD9 0.01218 0.4211 20
86 1XX4 BAM 0.009696 0.41409 21.1111
87 4AAW R84 0.003555 0.40422 21.1111
88 2HVK TBA 0.005253 0.43431 23.3333
89 1LDM NAD 0.003157 0.41672 25.5556
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