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
NAG GAL FUC FUC C:1;
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 (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4OPS - NAG GAL FUC FUC n/a n/a
2 4OPO - NAG GAL FUC FUC n/a n/a
3 4WZL - NDG GAL FUC n/a n/a
4 4X06 - GLA FUC GLA n/a n/a
5 4WZE - NDG FUC GAL FUC n/a n/a
6 4OP7 - GLA FUC GLA n/a n/a
7 4X05 - GLA FUC GLA n/a n/a
8 4WZT - GLA FUC A2G n/a n/a
9 4X0C - NDG FUC GAL n/a n/a
10 4WZK - NDG GAL FUC n/a n/a
11 6H9V - MFU C7 H14 O5 C[C@H]1[C@....
12 4X07 - GLA FUC A2G n/a n/a
70% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4OPS - NAG GAL FUC FUC n/a n/a
2 4OPO - NAG GAL FUC FUC n/a n/a
3 4WZL - NDG GAL FUC n/a n/a
4 4X06 - GLA FUC GLA n/a n/a
5 4WZE - NDG FUC GAL FUC n/a n/a
6 4OP7 - GLA FUC GLA n/a n/a
7 4X05 - GLA FUC GLA n/a n/a
8 4WZT - GLA FUC A2G n/a n/a
9 4X0C - NDG FUC GAL n/a n/a
10 4WZK - NDG GAL FUC n/a n/a
11 6H9V - MFU C7 H14 O5 C[C@H]1[C@....
12 4X07 - GLA FUC A2G n/a n/a
13 5LKC ic50 = 13 mM GLA FUC A2G n/a n/a
14 5LKG - GLC GAL FUC n/a n/a
15 6GW0 Kd = 0.000000064 M TUD C26 H45 N O6 S C[C@H](CCC....
16 6GVZ Kd = 0.4 uM CHO C26 H43 N O5 C[C@H](CCC....
17 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
18 6GW1 Kd = 0.000000064 M CHO C26 H43 N O5 C[C@H](CCC....
19 4Z4Z - GLA FUC GLA n/a n/a
20 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
21 3Q3A - NAG GAL FUL n/a n/a
22 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
23 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
24 4Z4Y - GLA FUC GLA n/a n/a
25 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
26 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
27 3PA2 - NAG FUC GAL FUC n/a n/a
28 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q38 - GAL FUC GLA n/a n/a
30 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
31 3PA1 - GAL FUC A2G n/a n/a
32 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
33 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
34 3Q39 - GAL FUC n/a n/a
35 5HZA ic50 = 5.6 mM BGC FUC GAL n/a n/a
36 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
37 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
38 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
39 4RM0 - NAG GAL FUC n/a n/a
40 3PUN - NDG FUC GAL FUC n/a n/a
41 3PVD - NDG FUC GAL SIA n/a n/a
42 6JYN - NAG GAL n/a n/a
43 6JYS - A2G THR GAL NAG n/a n/a
44 3R6K - GAL FUC GLA n/a n/a
45 6IS5 - GLC GAL FUC A2G n/a n/a
46 6GW4 Kd = 0.000000064 M CHO C26 H43 N O5 C[C@H](CCC....
47 2OBS - GL0 FUC A2G n/a n/a
48 2OBT - GAL FUC GLA n/a n/a
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4OPS - NAG GAL FUC FUC n/a n/a
2 4OPO - NAG GAL FUC FUC n/a n/a
3 4WZL - NDG GAL FUC n/a n/a
4 4X06 - GLA FUC GLA n/a n/a
5 4WZE - NDG FUC GAL FUC n/a n/a
6 4OP7 - GLA FUC GLA n/a n/a
7 4X05 - GLA FUC GLA n/a n/a
8 4WZT - GLA FUC A2G n/a n/a
9 4X0C - NDG FUC GAL n/a n/a
10 4WZK - NDG GAL FUC n/a n/a
11 6H9V - MFU C7 H14 O5 C[C@H]1[C@....
12 4X07 - GLA FUC A2G n/a n/a
13 5LKC ic50 = 13 mM GLA FUC A2G n/a n/a
14 5LKG - GLC GAL FUC n/a n/a
15 6GW0 Kd = 0.000000064 M TUD C26 H45 N O6 S C[C@H](CCC....
16 6GVZ Kd = 0.4 uM CHO C26 H43 N O5 C[C@H](CCC....
17 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
18 6GW1 Kd = 0.000000064 M CHO C26 H43 N O5 C[C@H](CCC....
19 4Z4Z - GLA FUC GLA n/a n/a
20 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
21 3Q3A - NAG GAL FUL n/a n/a
22 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
23 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
24 4Z4Y - GLA FUC GLA n/a n/a
25 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
26 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
27 3PA2 - NAG FUC GAL FUC n/a n/a
28 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q38 - GAL FUC GLA n/a n/a
30 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
31 3PA1 - GAL FUC A2G n/a n/a
32 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
33 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
34 3Q39 - GAL FUC n/a n/a
35 5HZA ic50 = 5.6 mM BGC FUC GAL n/a n/a
36 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
37 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
38 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
39 4RM0 - NAG GAL FUC n/a n/a
40 3PUN - NDG FUC GAL FUC n/a n/a
41 3PVD - NDG FUC GAL SIA n/a n/a
42 6JYN - NAG GAL n/a n/a
43 6JYS - A2G THR GAL NAG n/a n/a
44 4RDL - NDG FUC GAL FUC n/a n/a
45 4RDK - NDG GAL FUC FUC n/a n/a
46 3R6K - GAL FUC GLA n/a n/a
47 5N7M - GLC GAL FUC n/a n/a
48 2ZL6 - BGC GAL NAG GAL FUC n/a n/a
49 2ZL7 - GAL FUC NGA n/a n/a
50 3D26 - GAL FUC NGA n/a n/a
51 6IS5 - GLC GAL FUC A2G n/a n/a
52 4P25 - NAG FUC GAL FUC n/a n/a
53 4P3I - NAG GAL FUC n/a n/a
54 4P2N - NAG FUC GAL n/a n/a
55 4P26 - NAG GAL FUC A2G n/a n/a
56 4P1V - NAG GAL FUC n/a n/a
57 6GW4 Kd = 0.000000064 M CHO C26 H43 N O5 C[C@H](CCC....
58 2OBS - GL0 FUC A2G n/a n/a
59 2OBT - GAL FUC GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GAL FUC FUC; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL FUC FUC 1 1
2 NDG FUC GAL FUC 0.940298 1
3 NAG FUC GAL 0.8 0.978723
4 MAG GAL FUC FUC 0.756757 0.979167
5 NAG GAL FUC 0.753425 0.978723
6 NAG GAL FUC A2G 0.739726 0.978723
7 MAG FUC GAL FUC 0.710526 0.979167
8 NAG GAL FUC FUC A2G 0.702381 0.959184
9 GAL NAG GAL FUC FUC 0.695122 1
10 NAG FUC GAL FUC A2G 0.662791 0.959184
11 MAG SGA FUC 0.642857 0.71875
12 BGC GAL NAG GAL FUC FUC 0.626374 1
13 GLA NAG GAL FUC 0.607143 0.978723
14 NAG FUC 0.60274 0.957447
15 GLC GAL BGC FUC 0.6 0.723404
16 BGC GAL FUC 0.6 0.723404
17 NDG GAL FUC FUC 0.571429 0.92
18 GAL NAG GAL FUC 0.568182 0.938776
19 BGC GAL NAG GAL FUC 0.565217 0.978723
20 NAG NON FUC GAL FUC 0.56383 0.854545
21 NAG GAL FUC GLA 0.563218 0.978723
22 GAL NAG FUC GAL 0.551724 0.978723
23 XYS GAL FUC 0.55 0.708333
24 GLC BGC FUC GAL 0.532468 0.723404
25 BGC FUC GAL 0.532468 0.723404
26 BGC FUC GAL FUC A2G 0.521739 1
27 GLA NAG FUC GAL 0.51087 0.958333
28 BGC FUC GAL NAG 0.51087 0.978723
29 GAL FUC A2G 0.505882 0.978723
30 MAG FUC G4S 0.505495 0.707692
31 BGC GAL FUC A2G 0.5 0.978723
32 BGC FUC GAL NAG GAL 0.494845 0.978723
33 NAG GAL 0.493506 0.957447
34 A2G GAL 0.493506 0.957447
35 NAG FUC GAL SIA 0.490909 0.903846
36 MAG FUC SGA 0.483871 0.707692
37 BHE 0.47619 0.636364
38 AMU NAG 0.47191 0.94
39 4YA 0.46988 0.636364
40 NDG NAG GLA NAG GLC RAM 0.462264 0.959184
41 NDG GLA NAG GLC RAM 0.462264 0.959184
42 GLC GAL NAG GAL FUC GLA 0.460784 0.978723
43 A2G NAG 0.45679 0.938776
44 BGC GAL FUC GLA 0.454545 0.723404
45 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.45098 0.957447
46 NDG GLA GLC NAG GLC RAM 0.449541 0.959184
47 NAG NAG BMA MAN NAG 0.44898 0.959184
48 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.446602 0.957447
49 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.445545 0.94
50 GAL FUC GAL 0.444444 0.723404
51 NAG GAL GAL 0.44186 0.957447
52 GLC GAL NAG GAL FUC A2G 0.439252 0.959184
53 GDL NAG 0.439024 0.938776
54 MAN MAN NAG 0.433333 0.918367
55 MAN NAG GAL 0.431818 0.957447
56 NAG GAL BGC GAL 0.428571 0.957447
57 NAG G6S 0.426966 0.703125
58 MMA MAN NAG 0.426966 0.958333
59 NAG TA5 FUC 0.425532 0.69697
60 NAG BMA MAN MAN NAG GAL NAG GAL 0.424528 0.959184
61 TVD GAL 0.419753 0.92
62 NAG NAG NAG NAG NAG NAG 0.418605 0.959184
63 NDG NAG NAG NAG NAG 0.418605 0.959184
64 NAG NAG NAG NAG NAG NAG NAG NAG 0.418605 0.959184
65 NAG NAG NAG NAG NAG 0.418605 0.959184
66 MAN NAG 0.414634 0.957447
67 HSH A2G FUC 0.414141 0.854545
68 BGC GAL SIA NGA GAL FUC 0.414062 0.903846
69 MAN MAN MAN NAG NAG 0.412371 0.938776
70 A2G GAL NAG 0.408602 0.938776
71 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40708 0.938776
72 NAG BDP 0.406977 0.918367
73 NDG BMA MAN MAN NAG GAL NAG 0.405405 0.959184
74 BGC GAL NGA 0.404494 0.957447
75 NAG GAL NAG GAL 0.404255 0.938776
76 NAG GAL NAG GAL NAG GAL 0.404255 0.959184
77 NGS FUC GLA SIA 0.403226 0.712121
78 MGC GAL 0.402439 0.958333
79 NAG GAL NAG 0.402174 0.938776
80 BGC GAL NGA GAL 0.402174 0.957447
81 BMA MAN MAN NAG GAL NAG 0.401869 0.938776
82 NDG BMA MAN MAN NAG MAN MAN 0.401786 0.938776
83 NAG NAG BMA MAN MAN NAG GAL NAG 0.401786 0.959184
84 ASG GC4 0.4 0.676923
85 MAN MAN MAN GLC 0.4 0.702128
86 NAG BDP NAG BDP NAG BDP NAG 0.4 0.94
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAL FUC FUC; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NAG FUC GAL FUC 0.9560
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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