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Receptor
PDB id Resolution Class Description Source Keywords
4OPS 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P DOMAIN FROM NOROVIRUS STRAIN FARMINGT 2004 IN COMPLEX WITH HBGA TYPE LEB (TETRAGLYCAN) NOROVIRUS HU/GII.4/FARMINGTON HILLS/20ORGANISM_TAXID: 1182143 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
FUC GAL NAG FUC B:601;
Valid;
none;
submit data
675.634 n/a O=C(N...
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 GAL NAG FUC; Similar ligands found: 139
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG FUC FUC 1 1
2 GAL NDG FUC FUC 1 1
3 FUC NDG GAL FUC 1 1
4 FUC GAL NDG FUC 1 1
5 BDZ 1 1
6 FUC GAL NAG FUC 1 1
7 FUC NAG GAL FUC 0.940298 1
8 BCW 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 FUC GAL NDG 0.739726 0.978723
13 FUL GAL NAG 0.739726 0.978723
14 GAL NAG FUC 0.739726 0.978723
15 DR2 0.739726 0.978723
16 NDG GAL FUC 0.739726 0.978723
17 NAG GAL FUC 0.739726 0.978723
18 FUC GAL NAG 0.739726 0.978723
19 FUC GAL NAG A2G FUC 0.702381 0.959184
20 NAG GAL FUC FUC A2G 0.662791 0.959184
21 FUC GAL NAG GAL FUC 0.654762 1
22 NAG FUC 0.60274 0.93617
23 GLC GAL FUC 0.6 0.723404
24 8B7 0.6 0.723404
25 LAT FUC 0.6 0.723404
26 FUC GAL GLC 0.6 0.723404
27 BGC GAL FUC 0.6 0.723404
28 FUC GAL NAG NON FUC 0.597826 0.854545
29 MAG FUC GAL 0.594937 0.979167
30 BGC GAL NAG GAL FUC FUC 0.591398 1
31 GLC GAL NAG GAL FUC FUC 0.591398 1
32 GAL GLC NAG GAL FUC 0.565217 0.978723
33 FUC GAL NAG GAL BGC 0.565217 0.978723
34 GLC NAG GAL GAL FUC 0.565217 0.978723
35 GAL NAG GAL FUC 0.551724 0.978723
36 GLA NAG GAL FUC 0.551724 0.978723
37 XYS GAL FUC 0.55 0.708333
38 GLC FUC GAL FUC A2G 0.538462 1
39 BGC FUC GAL FUC A2G 0.538462 1
40 A2G GAL NAG FUC 0.532609 0.959184
41 FUC GAL NAG A2G 0.532609 0.959184
42 FUC BGC GAL 0.512821 0.723404
43 FUC NAG GLA GAL 0.51087 0.958333
44 FUC GAL A2G 0.505882 0.978723
45 FUC GLA A2G 0.505882 0.978723
46 A2G GLA FUC 0.505882 0.978723
47 A2G GAL FUC 0.505882 0.978723
48 NGA GAL FUC 0.505882 0.978723
49 G4S MAG FUC 0.505495 0.707692
50 A2G GAL BGC FUC 0.5 0.978723
51 FUC BGC GAL NAG 0.494624 0.978723
52 FUC NAG 0.493827 0.882353
53 NLC 0.493506 0.957447
54 GAL NDG 0.493506 0.957447
55 GAL NGA 0.493506 0.957447
56 A2G GAL 0.493506 0.957447
57 NDG GAL 0.493506 0.957447
58 GAL A2G 0.493506 0.957447
59 FUC GAL 0.493151 0.702128
60 FUC NDG GAL SIA 0.490909 0.903846
61 NAG FUC SIA GAL 0.490909 0.903846
62 NDG FUC SIA GAL 0.490909 0.903846
63 SIA GAL NAG FUC 0.490909 0.903846
64 SIA GAL NDG FUC 0.490909 0.903846
65 SIA GLA NAG FUC 0.490909 0.903846
66 FUC NAG GAL 0.488372 0.901961
67 SGA MAG FUC 0.483871 0.707692
68 FUC BGC GAL NAG GAL 0.479592 0.978723
69 BHE 0.47619 0.636364
70 NAG AMU 0.47191 0.94
71 NAG MUB 0.47191 0.94
72 4YA 0.46988 0.636364
73 FUC BHG 0.46988 0.636364
74 BHG FUC 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 GAL GAL FUC 0.444444 0.723404
83 FUC GLA GLA 0.444444 0.723404
84 FUC GAL GLA 0.444444 0.723404
85 GLA GAL FUC 0.444444 0.723404
86 GLA GLA FUC 0.444444 0.723404
87 GLA GAL NAG 0.44186 0.957447
88 MAN BMA NAG 0.44186 0.957447
89 BMA BMA MAN 0.441558 0.702128
90 MAN MAN BMA 0.441558 0.702128
91 A2G GAL NAG FUC GAL GLC 0.439252 0.959184
92 GLC GAL NAG GAL FUC A2G 0.439252 0.959184
93 CBS CBS 0.439024 0.938776
94 NAG GDL 0.439024 0.938776
95 CBS 0.439024 0.938776
96 NDG NAG 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 FUC NAG TA5 0.42268 0.686567
105 BGA 0.42 0.854545
106 8VZ 0.419753 0.92
107 BMA MAN MAN MAN 0.419753 0.702128
108 NAG NAG NDG NAG 0.418605 0.959184
109 NDG NAG NAG 0.418605 0.959184
110 NAG NAG NAG NAG NAG NAG 0.418605 0.959184
111 NAG NAG NAG NAG NDG 0.418605 0.959184
112 NAG NAG NAG NDG 0.418605 0.959184
113 CTO 0.418605 0.959184
114 NAG NAG NDG 0.418605 0.959184
115 NAG NAG NAG NAG NAG NAG NAG NAG 0.418605 0.959184
116 NDG NAG NAG NAG 0.418605 0.959184
117 NDG NAG NAG NDG 0.418605 0.959184
118 NAG NAG NAG NAG NAG 0.418605 0.959184
119 L42 0.414894 0.651515
120 ASG GCD 0.414894 0.676923
121 NAG MAN MAN 0.413043 0.957447
122 NAG MAN MAN MAN NAG 0.412371 0.938776
123 NAG A2G GAL 0.408602 0.938776
124 ASG IDR IDR ASG 0.407767 0.707692
125 NAG BMA NAG MAN MAN NAG NAG 0.407407 0.959184
126 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40708 0.938776
127 NAG BDP 0.406977 0.918367
128 NAG MAN BMA NDG MAN NAG GAL 0.405405 0.959184
129 NGA GAL BGC 0.404494 0.957447
130 GAL NAG GAL NAG GAL NAG 0.404255 0.959184
131 NAG GAL GAL NAG 0.404255 0.938776
132 SIA GLA NGS FUC 0.403226 0.712121
133 GAL MGC 0.402439 0.958333
134 NAG GAL NAG 0.402174 0.938776
135 NAG MAN BMA MAN NAG GAL 0.401869 0.938776
136 M5G 0.401786 0.938776
137 NAG NAG BMA MAN MAN NAG GAL NAG 0.401786 0.959184
138 MAN MAN MAN GLC 0.4 0.702128
139 NAG BDP NAG BDP NAG BDP NAG 0.4 0.94
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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