Receptor
PDB id Resolution Class Description Source Keywords
4RM0 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NOROVIRUS OIF P DOMAIN IN COMPLEX WITH TRISACCHARIDE NOROVIRUS MIXED ALPHA/BETA RECEPTOR BINDING HBGA VIRUS CASPID VIRA
Ref.: A UNIQUE HUMAN NOROVIRUS LINEAGE WITH A DISTINCT HB BINDING INTERFACE. PLOS PATHOG. V. 11 05025 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC NDG GAL B:601;
Valid;
none;
submit data
529.492 n/a O=C(N...
FUC NAG GAL A:601;
Valid;
none;
submit data
529.492 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RM0 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NOROVIRUS OIF P DOMAIN IN COMPLEX WITH TRISACCHARIDE NOROVIRUS MIXED ALPHA/BETA RECEPTOR BINDING HBGA VIRUS CASPID VIRA
Ref.: A UNIQUE HUMAN NOROVIRUS LINEAGE WITH A DISTINCT HB BINDING INTERFACE. PLOS PATHOG. V. 11 05025 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4RM0 - FUC NAG GAL n/a n/a
70% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
15 4Z4Z - FUC GLA GLA n/a n/a
16 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
17 3Q3A - FUL GAL NAG n/a n/a
18 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
19 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
20 4Z4Y - FUC GLA GLA n/a n/a
21 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
22 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
23 3PA2 - FUC GAL NAG FUC n/a n/a
24 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
25 3Q38 - FUC GAL GLA n/a n/a
26 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
27 3PA1 - FUC GAL A2G n/a n/a
28 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q39 - FUC GAL n/a n/a
30 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
31 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
32 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
33 4RM0 - FUC NAG GAL n/a n/a
34 3PUN - FUC GAL NDG FUC n/a n/a
35 3PVD - SIA GAL NDG FUC n/a n/a
36 3R6K - FUC GAL GLA n/a n/a
37 2OBS - FUC GL0 A2G n/a n/a
38 2OBT - FUC GAL GLA n/a n/a
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
15 4Z4Z - FUC GLA GLA n/a n/a
16 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
17 3Q3A - FUL GAL NAG n/a n/a
18 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
19 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
20 4Z4Y - FUC GLA GLA n/a n/a
21 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
22 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
23 3PA2 - FUC GAL NAG FUC n/a n/a
24 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
25 3Q38 - FUC GAL GLA n/a n/a
26 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
27 3PA1 - FUC GAL A2G n/a n/a
28 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q39 - FUC GAL n/a n/a
30 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
31 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
32 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
33 4RM0 - FUC NAG GAL n/a n/a
34 3PUN - FUC GAL NDG FUC n/a n/a
35 3PVD - SIA GAL NDG FUC n/a n/a
36 4RDL - FUC GAL NDG FUC n/a n/a
37 4RDK - FUC NDG GAL FUC n/a n/a
38 3R6K - FUC GAL GLA n/a n/a
39 5N7M - GLC GAL FUC n/a n/a
40 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
41 2ZL7 - FUC GAL NGA n/a n/a
42 3D26 - NGA GAL FUC n/a n/a
43 4P25 - FUC GAL NAG FUC n/a n/a
44 4P3I - GAL NAG FUC n/a n/a
45 4P2N - GAL NAG FUC n/a n/a
46 4P26 - A2G GAL NAG FUC n/a n/a
47 4P1V - FUC GAL NAG n/a n/a
48 2OBS - FUC GL0 A2G n/a n/a
49 2OBT - FUC GAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC NDG 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 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RM0; Ligand: FUC NDG GAL; Similar sites found: 31
This union binding pocket(no: 1) in the query (biounit: 4rm0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOE AR6 0.02846 0.40598 1.67224
2 4WAS COO 0.02948 0.42558 1.89873
3 4WAS NAP 0.02929 0.42444 1.89873
4 5K8B PDG 0.02902 0.40581 1.89873
5 4TXJ THM 0.03986 0.40176 2.02703
6 1EM6 CP4 0.01586 0.46771 2.21519
7 3QVP FAD 0.03779 0.41464 2.21519
8 2VCH UDP 0.0269 0.41313 2.21519
9 4RPO T6C 0.02922 0.40485 2.24215
10 5SYN 71T 0.01028 0.42303 2.5974
11 5VEO AMP 0.01783 0.4022 2.8481
12 1QFT HSM 0.01959 0.40724 2.85714
13 1HXD BTN 0.005521 0.43601 3.16456
14 4BNU 9KQ 0.01082 0.42685 3.16456
15 2GCE RFC 0.04759 0.4158 3.16456
16 1ZPT FAD 0.03472 0.41999 3.28947
17 1LBT T80 0.02103 0.40514 3.48101
18 3VEH 0GA 0.02495 0.41128 4.11392
19 1R2Q GNP 0.03303 0.40892 4.11765
20 5V2J UDP 0.01987 0.419 4.74684
21 5V2J 7WV 0.01987 0.419 4.74684
22 3BXD INS 0.01295 0.40945 4.84429
23 3RDO BTN 0.01571 0.40145 5.22876
24 4Q0L V14 0.008267 0.43142 6.08365
25 1A8P FAD 0.01746 0.41496 6.20155
26 5N0F 7K2 0.01597 0.40421 6.64557
27 1G8K MGD 0.04711 0.41081 6.96203
28 4YNU LGC 0.03662 0.40944 7.27848
29 5WRJ A3P 0.02553 0.40196 9.90099
30 4HP0 NOJ NAG NAG NAG 0.03452 0.40586 10.0775
31 4YSX FAD 0.01655 0.43071 11.5385
Pocket No.: 2; Query (leader) PDB : 4RM0; Ligand: FUC NAG GAL; Similar sites found: 33
This union binding pocket(no: 2) in the query (biounit: 4rm0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOE AR6 0.02559 0.4077 1.67224
2 4RSL FAD 0.03033 0.42202 2.21519
3 3HQP ATP 0.02546 0.40477 2.21519
4 3CH6 NAP 0.04407 0.42473 2.44755
5 3CH6 311 0.04407 0.42473 2.44755
6 3NUB UD0 0.01941 0.42264 2.53165
7 2GLX NDP 0.02628 0.41433 2.53165
8 4E8C GAL 0.01182 0.40717 2.53165
9 2E5V FAD 0.02401 0.42288 2.8481
10 1DUV PSQ 0.02418 0.40017 2.8481
11 3KH5 AMP 0.04259 0.42003 2.85714
12 4BNU 9KQ 0.01587 0.41785 3.16456
13 1ZPT FAD 0.04005 0.41683 3.28947
14 3VSS FRU 0.007418 0.41711 3.48101
15 4G1V FAD 0.022 0.41418 3.48101
16 1LBT T80 0.02317 0.40732 3.48101
17 4NKT 2KH 0.01641 0.40718 3.48101
18 4LJ3 C2E 0.01341 0.42189 3.94265
19 3F3E LEU 0.004491 0.45929 4.11392
20 3VEH 0GA 0.01566 0.42426 4.11392
21 5V2J UDP 0.02787 0.41229 4.74684
22 5V2J 7WV 0.02787 0.41229 4.74684
23 3UBM COA 0.02572 0.40962 5.06329
24 3RDO BTN 0.01653 0.40124 5.22876
25 5T67 SAH 0.04607 0.40073 5.37975
26 3CRZ NAP 0.02786 0.41658 5.83658
27 3CRZ FAD 0.01371 0.41658 5.83658
28 1A8P FAD 0.01288 0.42082 6.20155
29 5N0F 7K2 0.0147 0.40728 6.64557
30 1L2T ATP 0.01419 0.42059 8.51064
31 2FHJ MFN 0.01374 0.42359 8.78378
32 4HP0 NOJ NAG NAG NAG 0.03978 0.40245 10.0775
33 4YSX FAD 0.01871 0.42651 11.5385
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