Receptor
PDB id Resolution Class Description Source Keywords
4X0C 1.72 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P DOMAIN FROM NOROVIRUS STRAIN NSW0514 WITH HBGA TYPE LEX (TRIGLYCAN) NOROVIRUS HU/GII.4/SYDNEY/NSW0514/2012ORGANISM_TAXID: 1241973 VIRAL CAPSID PROTEIN PROTRUDING DOMAIN VIRAL PROTEIN
Ref.: HUMAN NOROVIRUSES' FONDNESS FOR HISTO-BLOOD GROUP A J.VIROL. V. 89 2024 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC NDG GAL B:608;
A:604;
Valid;
Valid;
none;
none;
submit data
529.492 n/a O=C(N...
FMT A:603;
B:606;
B:604;
B:607;
B:605;
B:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
EDO B:601;
A:601;
A:602;
B:602;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X06 1.22 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P DOMAIN FROM NOROVIRUS STRAIN SAGA4 IN WITH HBGA TYPE B (TRIGLYCAN) NOROVIRUS HU/GII-4/SAGA4/2006/JP VIRAL CAPSID PROTEIN PROTRUDING DOMAIN VIRAL PROTEIN
Ref.: HUMAN NOROVIRUSES' FONDNESS FOR HISTO-BLOOD GROUP A J.VIROL. V. 89 2024 2015
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 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
70% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 6GW0 Kd = 0.00000145 M TUD C26 H45 N O6 S C[C@H](CCC....
15 6GVZ Kd = 0.4 uM CHO C26 H43 N O5 C[C@H](CCC....
16 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
17 6GW1 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
18 4Z4Z - FUC GLA GLA n/a n/a
19 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
20 3Q3A - FUL GAL NAG n/a n/a
21 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
22 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
23 4Z4Y - FUC GLA GLA n/a n/a
24 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
25 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
26 3PA2 - FUC GAL NAG FUC n/a n/a
27 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
28 3Q38 - FUC GAL GLA n/a n/a
29 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
30 3PA1 - FUC GAL A2G n/a n/a
31 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
32 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
33 3Q39 - FUC GAL n/a n/a
34 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
35 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
36 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
37 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
38 4RM0 - FUC NAG GAL n/a n/a
39 3PUN - FUC GAL NDG FUC n/a n/a
40 3PVD - SIA GAL NDG FUC n/a n/a
41 3R6K - FUC GAL GLA n/a n/a
42 6GW4 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
43 2OBS - FUC GL0 A2G n/a n/a
44 2OBT - FUC GAL GLA n/a n/a
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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 6GW0 Kd = 0.00000145 M TUD C26 H45 N O6 S C[C@H](CCC....
15 6GVZ Kd = 0.4 uM CHO C26 H43 N O5 C[C@H](CCC....
16 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
17 6GW1 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
18 4Z4Z - FUC GLA GLA n/a n/a
19 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
20 3Q3A - FUL GAL NAG n/a n/a
21 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
22 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
23 4Z4Y - FUC GLA GLA n/a n/a
24 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
25 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
26 3PA2 - FUC GAL NAG FUC n/a n/a
27 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
28 3Q38 - FUC GAL GLA n/a n/a
29 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
30 3PA1 - FUC GAL A2G n/a n/a
31 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
32 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
33 3Q39 - FUC GAL n/a n/a
34 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
35 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
36 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
37 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
38 4RM0 - FUC NAG GAL n/a n/a
39 3PUN - FUC GAL NDG FUC n/a n/a
40 3PVD - SIA GAL NDG FUC n/a n/a
41 4RDL - FUC GAL NDG FUC n/a n/a
42 4RDK - FUC NDG GAL FUC n/a n/a
43 3R6K - FUC GAL GLA n/a n/a
44 5N7M - GLC GAL FUC n/a n/a
45 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
46 2ZL7 - FUC GAL NGA n/a n/a
47 3D26 - NGA GAL FUC n/a n/a
48 4P25 - FUC GAL NAG FUC n/a n/a
49 4P3I - GAL NAG FUC n/a n/a
50 4P2N - GAL NAG FUC n/a n/a
51 4P26 - A2G GAL NAG FUC n/a n/a
52 4P1V - FUC GAL NAG n/a n/a
53 6GW4 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
54 2OBS - FUC GL0 A2G n/a n/a
55 2OBT - FUC GAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC NDG GAL; Similar ligands found: 226
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NDG FUC 1 1
2 FUC NDG GAL 1 1
3 FUC GAL NDG FUC 0.8 0.978723
4 GAL NDG FUC FUC 0.8 0.978723
5 BDZ 0.8 0.978723
6 FUC NAG GAL FUC 0.8 0.978723
7 GAL NAG FUC FUC 0.8 0.978723
8 FUC NDG GAL FUC 0.8 0.978723
9 BCW 0.8 0.978723
10 FUC GAL NAG FUC 0.8 0.978723
11 MAG FUC GAL 0.742857 0.958333
12 GAL NAG GAL FUC 0.679487 1
13 GLA NAG GAL FUC 0.679487 1
14 FUC GAL NAG A2G FUC 0.674699 0.938776
15 NAG GAL FUC FUC A2G 0.674699 0.938776
16 FUC BGC GAL 0.652174 0.73913
17 FUC NAG GLA GAL 0.626506 0.978723
18 NAG FUC 0.614286 0.956522
19 FUC NAG GAL 0.61039 0.92
20 DR3 0.61039 1
21 GAL NGA 0.608696 0.978261
22 A2G GAL 0.608696 0.978261
23 GAL A2G 0.608696 0.978261
24 DR2 0.597403 1
25 FUC GAL NAG 0.597403 1
26 FUC GAL NDG 0.597403 1
27 GAL NAG FUC 0.597403 1
28 FUL GAL NAG 0.597403 1
29 NDG GAL FUC 0.597403 1
30 NAG GAL FUC 0.597403 1
31 NDG GAL 0.585714 0.978261
32 NLC 0.585714 0.978261
33 GAL NDG 0.585714 0.978261
34 FUC BGC GAL NAG GAL 0.566667 1
35 FUC GAL NAG GAL FUC 0.551724 0.978723
36 FUC BGC GAL NAG 0.551724 1
37 FUC GAL GLA 0.547945 0.73913
38 GLA GLA FUC 0.547945 0.73913
39 FUC GLA GLA 0.547945 0.73913
40 GAL GAL FUC 0.547945 0.73913
41 GLA GAL FUC 0.547945 0.73913
42 G4S MAG FUC 0.546512 0.692308
43 SGA MAG FUC 0.54023 0.692308
44 SIA GAL NAG FUC 0.538462 0.884615
45 FUC NDG GAL SIA 0.538462 0.884615
46 SIA GLA NAG FUC 0.538462 0.884615
47 NAG FUC SIA GAL 0.538462 0.884615
48 SIA GAL NDG FUC 0.538462 0.884615
49 NDG FUC SIA GAL 0.538462 0.884615
50 BGC GAL NAG GAL FUC FUC 0.531915 0.978723
51 GLC GAL NAG GAL FUC FUC 0.531915 0.978723
52 FUC GAL A2G 0.530864 1
53 A2G GLA FUC 0.530864 1
54 FUC GLA A2G 0.530864 1
55 A2G GAL FUC 0.530864 1
56 NGA GAL FUC 0.530864 1
57 FUC NAG 0.519481 0.9
58 GLA GAL NAG 0.518987 0.978261
59 MAN BMA NAG 0.518987 0.978261
60 BGC FUC GAL FUC A2G 0.511111 0.978723
61 GLC FUC GAL FUC A2G 0.511111 0.978723
62 A2G GAL NAG FUC 0.505495 0.938776
63 FUC GAL NAG A2G 0.505495 0.938776
64 GAL MGC 0.5 0.978723
65 8VZ 0.5 0.938776
66 GLA GAL NAG FUC GAL GLC 0.494845 1
67 NAG A2G GAL 0.494118 0.958333
68 BGC GLA GAL FUC 0.493976 0.73913
69 GAL GLC NAG GAL FUC 0.489362 1
70 GLC NAG GAL GAL FUC 0.489362 1
71 FUC GAL NAG GAL BGC 0.489362 1
72 A2G GAL BGC FUC 0.48913 1
73 8B7 0.487179 0.73913
74 FUC GAL GLC 0.487179 0.73913
75 BGC GAL FUC 0.487179 0.73913
76 LAT FUC 0.487179 0.73913
77 GLC GAL FUC 0.487179 0.73913
78 NAG A2G 0.480519 0.958333
79 NAG NGA 0.480519 0.958333
80 FUC GAL 0.478873 0.717391
81 FUC GAL NAG NON FUC 0.474227 0.836364
82 NAG GAL GAL NAG 0.471264 0.958333
83 GAL NAG GAL NAG GAL NAG 0.471264 0.938776
84 GAL NAG MAN 0.46988 0.978261
85 GAL A2G MBN 0.465116 0.9375
86 GAL BGC NAG GAL 0.465116 0.978261
87 G6S NAG 0.464286 0.714286
88 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.463918 0.92
89 NAG BMA 0.461538 0.88
90 GAL NAG GAL GLC 0.45977 0.978261
91 NAG AMU 0.45977 0.92
92 BGC GAL NAG GAL 0.45977 0.978261
93 NAG MUB 0.45977 0.92
94 FUC C4W NAG BMA 0.453608 0.884615
95 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.452632 0.958333
96 1GN ACY GAL ACY 1GN BGC GAL BGC 0.452632 0.958333
97 BGB 0.448276 0.648148
98 GAL LOG 0.444444 0.789474
99 NDG NAG 0.443038 0.958333
100 CBS 0.443038 0.958333
101 NAG GDL 0.443038 0.958333
102 CBS CBS 0.443038 0.958333
103 A2G GAL NAG FUC GAL GLC 0.442308 0.938776
104 GLC GAL NAG GAL FUC A2G 0.442308 0.938776
105 SIA GLA NGS FUC 0.440678 0.69697
106 GAL NGA GLA BGC GAL 0.43956 0.978261
107 GAL FUC 0.438356 0.717391
108 NAG GAL GAL NAG GAL 0.438202 0.958333
109 BGA 0.4375 0.836364
110 ASG GCD 0.433333 0.661538
111 L42 0.433333 0.636364
112 GLC GAL NAG GAL 0.433333 0.978261
113 LAT NAG GAL 0.433333 0.978261
114 GAL NAG GAL 0.431818 0.9375
115 GAL SER A2G 0.430233 0.865385
116 NGA SER GAL 0.430233 0.865385
117 GAL TNR 0.430233 0.865385
118 A2G SER GAL 0.430233 0.865385
119 XYS GAL FUC 0.428571 0.723404
120 NAG NDG BMA 0.426966 0.884615
121 NAG NAG BMA 0.426966 0.884615
122 NAG BDP 0.426829 0.897959
123 GCD ASG 0.423913 0.636364
124 NGK GCD 0.423913 0.636364
125 NGA GAL BGC 0.423529 0.978261
126 NAG BMA MAN MAN MAN MAN 0.42268 0.978261
127 MAL 0.422535 0.717391
128 GLA GLA 0.422535 0.717391
129 GLA GAL 0.422535 0.717391
130 CBI 0.422535 0.717391
131 N9S 0.422535 0.717391
132 LBT 0.422535 0.717391
133 GLC GAL 0.422535 0.717391
134 B2G 0.422535 0.717391
135 GAL BGC 0.422535 0.717391
136 CBK 0.422535 0.717391
137 BGC BMA 0.422535 0.717391
138 MAB 0.422535 0.717391
139 BGC GAL 0.422535 0.717391
140 LAT 0.422535 0.717391
141 BMA GAL 0.422535 0.717391
142 NDG NAG NAG NDG 0.421687 0.938776
143 NAG NAG NAG NAG NAG NAG 0.421687 0.938776
144 NAG NAG NAG NAG NAG NAG NAG NAG 0.421687 0.938776
145 NAG NAG NDG NAG 0.421687 0.938776
146 NAG NAG NAG NAG NDG 0.421687 0.938776
147 NAG NAG NAG NDG 0.421687 0.938776
148 NAG NAG NAG NAG NAG 0.421687 0.938776
149 NDG NAG NAG NAG 0.421687 0.938776
150 GAL NOK 0.421687 0.785714
151 NDG NAG NAG 0.421687 0.938776
152 CTO 0.421687 0.938776
153 NAG NAG NDG 0.421687 0.938776
154 NAG GAL NAG 0.420455 0.958333
155 GAL A2G THR 0.420455 0.901961
156 GAL NAG GAL BGC 0.419355 0.9375
157 SIA GAL MAG FUC 0.415929 0.849057
158 CGC 0.415584 0.717391
159 FUC C4W NAG BMA MAN 0.415094 0.884615
160 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.411765 0.978261
161 BHE 0.411765 0.648148
162 FUC NAG TA5 0.410526 0.671642
163 NAG NAG BMA MAN MAN 0.41 0.958333
164 ASG IDR IDR ASG 0.41 0.692308
165 2M4 0.408451 0.717391
166 BHG FUC 0.404762 0.648148
167 FUC BHG 0.404762 0.648148
168 4YA 0.404762 0.648148
169 NAG GAL BGC 0.404494 0.978261
170 GAL GC2 0.404494 0.676923
171 MAN GLC 0.402778 0.717391
172 NGR 0.402778 0.717391
173 LB2 0.402778 0.717391
174 M3M 0.402778 0.717391
175 AMU 0.402597 0.893617
176 NPO A2G GAL 0.402174 0.703125
177 GAL A2G NPO 0.402174 0.703125
178 NAG BDP NAG BDP NAG BDP NAG 0.402062 0.92
179 MLR 0.4 0.717391
180 CE6 0.4 0.717391
181 GLC BGC BGC BGC BGC BGC 0.4 0.717391
182 GLC BGC GLC 0.4 0.717391
183 GLC BGC BGC BGC 0.4 0.717391
184 BGC BGC BGC GLC 0.4 0.717391
185 CEY 0.4 0.717391
186 BMA MAN BMA 0.4 0.717391
187 BGC BGC BGC BGC 0.4 0.717391
188 FUC GAL NGA 0.4 0.918367
189 GLC GAL GAL 0.4 0.717391
190 GLC GLC GLC GLC GLC 0.4 0.717391
191 MTT 0.4 0.717391
192 BMA BMA BMA 0.4 0.717391
193 CTR 0.4 0.717391
194 BGC GLC GLC GLC GLC GLC GLC 0.4 0.717391
195 NAG MAN MAN MAN NAG GAL NAG GAL 0.4 0.938776
196 GLA GAL BGC 0.4 0.717391
197 CE5 0.4 0.717391
198 DXI 0.4 0.717391
199 BMA BMA BMA BMA BMA BMA 0.4 0.717391
200 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.717391
201 U63 0.4 0.66
202 GAL GAL GAL 0.4 0.717391
203 BGC BGC BGC 0.4 0.717391
204 GLC GLC BGC 0.4 0.717391
205 BGC GLC GLC 0.4 0.717391
206 GLC BGC BGC 0.4 0.717391
207 B4G 0.4 0.717391
208 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.717391
209 GLA GAL GLC 0.4 0.717391
210 MAN BMA BMA BMA BMA BMA 0.4 0.717391
211 GLC BGC BGC BGC BGC 0.4 0.717391
212 CT3 0.4 0.717391
213 BGC BGC BGC BGC BGC BGC 0.4 0.717391
214 CTT 0.4 0.717391
215 MAN BMA BMA 0.4 0.717391
216 BGC BGC GLC 0.4 0.717391
217 MAN MAN BMA BMA BMA BMA 0.4 0.717391
218 MT7 0.4 0.717391
219 CEX 0.4 0.717391
220 BGC BGC BGC BGC BGC 0.4 0.717391
221 CE8 0.4 0.717391
222 MAN BMA BMA BMA BMA 0.4 0.717391
223 BMA BMA BMA BMA BMA 0.4 0.717391
224 MAN BMA NAG NAG MAN NAG GAL GAL 0.4 0.938776
225 BGC GLC GLC GLC GLC 0.4 0.717391
226 BGC GLC GLC GLC 0.4 0.717391
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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