Receptor
PDB id Resolution Class Description Source Keywords
4OPO 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P DOMAIN FROM NOROVIRUS STRAIN SAGA4 IN WITH HBGA TYPE LEB (TETRAGLYCAN) NOROVIRUS HU/GII-4/KUMAMOTO5/2006/JP NOROVIRUS VIRAL CAPSID PROTEIN HISTO BLOOD GROUP ANTIGEN (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
EDO B:603;
A:603;
B:604;
A:602;
B:602;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FUC NAG GAL FUC B:609;
B:605;
Valid;
Valid;
none;
none;
submit data
675.634 n/a O=C(N...
ACT B:601;
A:601;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
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 NAG GAL FUC; Similar ligands found: 138
No: Ligand ECFP6 Tc MDL keys Tc
1 BCW 1 1
2 FUC NAG GAL FUC 1 1
3 FUC GAL NDG FUC 0.940298 1
4 GAL NDG FUC FUC 0.940298 1
5 FUC NDG GAL FUC 0.940298 1
6 BDZ 0.940298 1
7 GAL NAG FUC FUC 0.940298 1
8 FUC GAL NAG FUC 0.940298 1
9 FUC NDG GAL 0.8 0.978723
10 GAL NDG FUC 0.8 0.978723
11 DR3 0.753425 0.978723
12 NDG GAL FUC 0.739726 0.978723
13 FUC GAL NAG 0.739726 0.978723
14 NAG GAL FUC 0.739726 0.978723
15 GAL NAG FUC 0.739726 0.978723
16 DR2 0.739726 0.978723
17 FUL GAL NAG 0.739726 0.978723
18 FUC GAL NDG 0.739726 0.978723
19 NAG GAL FUC FUC A2G 0.702381 0.959184
20 FUC GAL NAG GAL FUC 0.695122 1
21 FUC GAL NAG A2G FUC 0.662791 0.959184
22 GLC GAL NAG GAL FUC FUC 0.626374 1
23 BGC GAL NAG GAL FUC FUC 0.626374 1
24 NAG FUC 0.60274 0.93617
25 LAT FUC 0.6 0.723404
26 8B7 0.6 0.723404
27 GLC GAL FUC 0.6 0.723404
28 FUC GAL GLC 0.6 0.723404
29 BGC GAL FUC 0.6 0.723404
30 MAG FUC GAL 0.594937 0.979167
31 GLC NAG GAL GAL FUC 0.565217 0.978723
32 FUC GAL NAG GAL BGC 0.565217 0.978723
33 GAL GLC NAG GAL FUC 0.565217 0.978723
34 FUC GAL NAG NON FUC 0.56383 0.854545
35 GLA NAG GAL FUC 0.551724 0.978723
36 GAL NAG GAL FUC 0.551724 0.978723
37 XYS GAL FUC 0.55 0.708333
38 A2G GAL NAG FUC 0.532609 0.959184
39 FUC GAL NAG A2G 0.532609 0.959184
40 FUC BGC GAL 0.532468 0.723404
41 BGC FUC GAL FUC A2G 0.521739 1
42 GLC FUC GAL FUC A2G 0.521739 1
43 FUC NAG GLA GAL 0.51087 0.958333
44 FUC BGC GAL NAG 0.51087 0.978723
45 FUC GLA A2G 0.505882 0.978723
46 FUC GAL A2G 0.505882 0.978723
47 A2G GLA FUC 0.505882 0.978723
48 A2G GAL FUC 0.505882 0.978723
49 FUC NAG GAL 0.505882 0.901961
50 NGA GAL FUC 0.505882 0.978723
51 G4S MAG FUC 0.505495 0.707692
52 A2G GAL BGC FUC 0.5 0.978723
53 FUC BGC GAL NAG GAL 0.494845 0.978723
54 FUC NAG 0.493827 0.882353
55 A2G GAL 0.493506 0.957447
56 GAL NDG 0.493506 0.957447
57 NLC 0.493506 0.957447
58 GAL NGA 0.493506 0.957447
59 GAL A2G 0.493506 0.957447
60 NDG GAL 0.493506 0.957447
61 FUC GAL 0.493151 0.702128
62 NAG FUC SIA GAL 0.490909 0.903846
63 NDG FUC SIA GAL 0.490909 0.903846
64 SIA GAL NDG FUC 0.490909 0.903846
65 SIA GLA NAG FUC 0.490909 0.903846
66 SIA GAL NAG FUC 0.490909 0.903846
67 FUC NDG GAL SIA 0.490909 0.903846
68 SGA MAG FUC 0.483871 0.707692
69 BHE 0.47619 0.636364
70 NAG MUB 0.47191 0.94
71 NAG AMU 0.47191 0.94
72 BHG FUC 0.46988 0.636364
73 4YA 0.46988 0.636364
74 FUC BHG 0.46988 0.636364
75 NAG MAN BMA 0.465116 0.957447
76 GLA GAL NAG FUC GAL GLC 0.460784 0.978723
77 NAG A2G 0.45679 0.938776
78 NAG NGA 0.45679 0.938776
79 BGC GLA GAL FUC 0.454545 0.723404
80 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.45098 0.957447
81 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.445545 0.94
82 GLA GLA FUC 0.444444 0.723404
83 GAL GAL FUC 0.444444 0.723404
84 FUC GLA GLA 0.444444 0.723404
85 FUC GAL GLA 0.444444 0.723404
86 GLA GAL FUC 0.444444 0.723404
87 MAN BMA NAG 0.44186 0.957447
88 GLA GAL NAG 0.44186 0.957447
89 MAN MAN BMA 0.441558 0.702128
90 BMA BMA MAN 0.441558 0.702128
91 GLC GAL NAG GAL FUC A2G 0.439252 0.959184
92 A2G GAL NAG FUC GAL GLC 0.439252 0.959184
93 NDG NAG 0.439024 0.938776
94 CBS 0.439024 0.938776
95 CBS CBS 0.439024 0.938776
96 NAG GDL 0.439024 0.938776
97 MAN MAN NAG 0.433333 0.918367
98 GAL NAG MAN 0.431818 0.957447
99 GAL BGC NAG GAL 0.428571 0.957447
100 NAG MAN MMA 0.426966 0.958333
101 G6S NAG 0.426966 0.703125
102 NAG MAN MAN MAN NAG GAL NAG GAL 0.424528 0.959184
103 MAN BMA NAG NAG MAN NAG GAL GAL 0.424528 0.959184
104 BGA 0.42 0.854545
105 BMA MAN MAN MAN 0.419753 0.702128
106 8VZ 0.419753 0.92
107 CTO 0.418605 0.959184
108 NAG NAG NAG NDG 0.418605 0.959184
109 NAG NAG NAG NAG NAG NAG 0.418605 0.959184
110 NAG NAG NAG NAG NAG 0.418605 0.959184
111 NDG NAG NAG 0.418605 0.959184
112 NAG NAG NDG NAG 0.418605 0.959184
113 NDG NAG NAG NDG 0.418605 0.959184
114 NAG NAG NAG NAG NDG 0.418605 0.959184
115 NDG NAG NAG NAG 0.418605 0.959184
116 NAG NAG NDG 0.418605 0.959184
117 NAG NAG NAG NAG NAG NAG NAG NAG 0.418605 0.959184
118 L42 0.414894 0.651515
119 NAG MAN MAN 0.413043 0.957447
120 NAG MAN MAN MAN NAG 0.412371 0.938776
121 NAG A2G GAL 0.408602 0.938776
122 FUC NAG TA5 0.408163 0.686567
123 NAG BMA NAG MAN MAN NAG NAG 0.407407 0.959184
124 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40708 0.938776
125 NAG BDP 0.406977 0.918367
126 NAG MAN BMA NDG MAN NAG GAL 0.405405 0.959184
127 NGA GAL BGC 0.404494 0.957447
128 NAG GAL GAL NAG 0.404255 0.938776
129 GAL NAG GAL NAG GAL NAG 0.404255 0.959184
130 SIA GLA NGS FUC 0.403226 0.712121
131 GAL MGC 0.402439 0.958333
132 NAG GAL NAG 0.402174 0.938776
133 NAG MAN BMA MAN NAG GAL 0.401869 0.938776
134 NAG NAG BMA MAN MAN NAG GAL NAG 0.401786 0.959184
135 M5G 0.401786 0.938776
136 ASG GCD 0.4 0.676923
137 NAG BDP NAG BDP NAG BDP NAG 0.4 0.94
138 MAN MAN MAN GLC 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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