Receptor
PDB id Resolution Class Description Source Keywords
4Z4Z 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GII.10 P DOMAIN IN COMPLEX WITH 30MM B (TRISACCHARIDE) NORWALK VIRUS HBGA NOROVIRUS PROTRUDING DOMAIN VIRAL PROTEIN
Ref.: THE SWEET QUARTET: BINDING OF FUCOSE TO THE NOROVIR CAPSID. VIROLOGY V. 483 203 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:603;
A:602;
B:601;
B:602;
A:601;
B:604;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FUC GLA GLA A:604;
B:605;
Valid;
Valid;
none;
none;
submit data
488.439 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GW1 1.9 Å NON-ENZYME: OTHER GII.10 HUMAN NOROVIRUS PROTRUDING DOMAIN IN COMPLEX WITH GLYCOCHENODEOXYCHOLATE (GCDCA) NORWALK VIRUS NOROVIRUS GII.10 P DOMAIN GCDCA HBGA VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR HUMAN NOROVIRUS CAPSID BINDING ACIDS. J. VIROL. 2018
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
2 6GW1 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
3 4Z4Z - FUC GLA GLA n/a n/a
4 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
5 3Q3A - FUL GAL NAG n/a n/a
6 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
7 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
8 4Z4Y - FUC GLA GLA n/a n/a
9 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
10 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
11 3PA2 - FUC GAL NAG FUC n/a n/a
12 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
13 3Q38 - FUC GAL GLA n/a n/a
14 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
15 3PA1 - FUC GAL A2G n/a n/a
16 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
17 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
18 3Q39 - FUC GAL n/a n/a
19 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
20 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
21 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
22 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
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 GLA GLA; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA FUC 1 1
2 FUC GLA GLA 1 1
3 GLA GAL FUC 1 1
4 FUC GAL GLA 1 1
5 GAL GAL FUC 1 1
6 NGA GAL FUC 0.691176 0.73913
7 A2G GAL FUC 0.691176 0.73913
8 FUC GLA A2G 0.691176 0.73913
9 A2G GLA FUC 0.691176 0.73913
10 FUC GAL A2G 0.691176 0.73913
11 FUC GAL NGA 0.671429 0.708333
12 FUC BGC GAL 0.666667 1
13 GLA MAN ABE 0.656716 0.944444
14 FUC GAL 0.627119 0.970588
15 BGC GLA GAL FUC 0.619718 1
16 BGB 0.56 0.790698
17 GAL NDG FUC 0.547945 0.73913
18 FUC NDG GAL 0.547945 0.73913
19 2M4 0.542373 0.970588
20 FUC NAG GAL 0.533333 0.68
21 LAT FUC 0.528571 1
22 GLC GAL FUC 0.528571 1
23 8B7 0.528571 1
24 BGC GAL FUC 0.528571 1
25 FUC GAL GLC 0.528571 1
26 GAL NAG GAL FUC 0.525 0.73913
27 GLA NAG GAL FUC 0.525 0.73913
28 LB2 0.508197 0.970588
29 NGR 0.508197 0.970588
30 MAN GLC 0.508197 0.970588
31 M3M 0.508197 0.970588
32 MAG FUC GAL 0.506667 0.708333
33 DR3 0.493506 0.73913
34 BMA BMA MAN 0.484848 0.970588
35 MAN MAN BMA 0.484848 0.970588
36 FUC BGC GAL NAG GAL 0.483146 0.73913
37 FUC BGC GAL NAG 0.482353 0.73913
38 FUC NAG 0.479452 0.66
39 GLA GAL NAG FUC GAL GLC 0.478261 0.73913
40 GAL A2G 0.478261 0.755556
41 GAL NGA 0.478261 0.755556
42 A2G GAL 0.478261 0.755556
43 GAL FUC 0.476923 0.970588
44 GLC FUC GAL FUC A2G 0.476744 0.723404
45 BGC FUC GAL FUC A2G 0.476744 0.723404
46 A2G GAL BGC FUC 0.471264 0.73913
47 GLC BGC BGC BGC BGC BGC BGC 0.469697 0.970588
48 BGC BGC BGC GLC BGC BGC 0.469697 0.970588
49 MDM 0.46875 0.971429
50 M13 0.46875 0.971429
51 GAL MBG 0.46875 0.971429
52 NAG FUC 0.464789 0.695652
53 FUC GAL NDG 0.461538 0.73913
54 DR2 0.461538 0.73913
55 FUL GAL NAG 0.461538 0.73913
56 GAL NAG FUC 0.461538 0.73913
57 FUC GAL NAG 0.461538 0.73913
58 NDG GAL FUC 0.461538 0.73913
59 NAG GAL FUC 0.461538 0.73913
60 XYS GAL FUC 0.460526 0.971429
61 BMA GAL 0.460317 0.970588
62 N9S 0.460317 0.970588
63 CBK 0.460317 0.970588
64 CBI 0.460317 0.970588
65 MAB 0.460317 0.970588
66 LAT 0.460317 0.970588
67 GLC GAL 0.460317 0.970588
68 B2G 0.460317 0.970588
69 BGC GAL 0.460317 0.970588
70 BGC BMA 0.460317 0.970588
71 GLA GAL 0.460317 0.970588
72 GAL BGC 0.460317 0.970588
73 LBT 0.460317 0.970588
74 MAL 0.460317 0.970588
75 GLA GLA 0.460317 0.970588
76 BQZ 0.457627 0.882353
77 BMA MAN MAN MAN 0.457143 0.970588
78 A2G GAL NAG FUC 0.454545 0.693878
79 FUC GAL NAG A2G 0.454545 0.693878
80 TRE 0.454545 0.970588
81 FUC BHG 0.453333 0.790698
82 BHG FUC 0.453333 0.790698
83 4YA 0.453333 0.790698
84 MAN MAN MAN GLC 0.452055 0.970588
85 FUC NAG GLA GAL 0.448276 0.723404
86 FUC NAG GAL FUC 0.444444 0.723404
87 FUC GAL NAG FUC 0.444444 0.723404
88 FUC GAL NAG A2G FUC 0.444444 0.693878
89 FUC NDG GAL FUC 0.444444 0.723404
90 FUC GAL NDG FUC 0.444444 0.723404
91 GAL NDG FUC FUC 0.444444 0.723404
92 BDZ 0.444444 0.723404
93 NAG GAL FUC FUC A2G 0.444444 0.693878
94 GAL NAG FUC FUC 0.444444 0.723404
95 GLA MBG 0.444444 0.971429
96 BCW 0.444444 0.723404
97 BHE 0.441558 0.790698
98 GLA MMA ABE 0.441558 0.894737
99 DOM 0.439394 0.916667
100 BGC BGC 0.439394 0.888889
101 BMA BMA 0.439394 0.888889
102 GAL NDG 0.43662 0.755556
103 NLC 0.43662 0.755556
104 GAL MGC 0.43662 0.723404
105 NDG GAL 0.43662 0.755556
106 U63 0.432836 0.868421
107 GLC BGC BGC BGC BGC 0.432836 0.970588
108 BGC BGC GLC 0.432836 0.970588
109 GLA GAL BGC 0.432836 0.970588
110 MLR 0.432836 0.970588
111 BMA MAN BMA 0.432836 0.970588
112 CTR 0.432836 0.970588
113 BMA BMA BMA 0.432836 0.970588
114 MAN BMA BMA 0.432836 0.970588
115 MTT 0.432836 0.970588
116 BMA BMA BMA BMA BMA 0.432836 0.970588
117 MAN BMA BMA BMA BMA 0.432836 0.970588
118 MAN MAN BMA BMA BMA BMA 0.432836 0.970588
119 BGC BGC BGC GLC 0.432836 0.970588
120 CE5 0.432836 0.970588
121 CE6 0.432836 0.970588
122 BGC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
123 MT7 0.432836 0.970588
124 BGC BGC BGC BGC BGC 0.432836 0.970588
125 GLC GLC GLC GLC GLC 0.432836 0.970588
126 GLC GAL GAL 0.432836 0.970588
127 GLC BGC BGC BGC BGC BGC 0.432836 0.970588
128 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.432836 0.970588
129 BGC GLC GLC 0.432836 0.970588
130 CEX 0.432836 0.970588
131 GLC BGC BGC BGC 0.432836 0.970588
132 BGC BGC BGC 0.432836 0.970588
133 CTT 0.432836 0.970588
134 BGC BGC BGC BGC 0.432836 0.970588
135 GLC BGC BGC 0.432836 0.970588
136 BGC BGC BGC BGC BGC BGC 0.432836 0.970588
137 BGC GLC GLC GLC 0.432836 0.970588
138 B4G 0.432836 0.970588
139 BGC GLC GLC GLC GLC 0.432836 0.970588
140 CE8 0.432836 0.970588
141 CEY 0.432836 0.970588
142 CT3 0.432836 0.970588
143 GLA GAL GLC 0.432836 0.970588
144 GLC BGC GLC 0.432836 0.970588
145 GAL GAL GAL 0.432836 0.970588
146 DXI 0.432836 0.970588
147 GLC GLC BGC 0.432836 0.970588
148 MAN BMA BMA BMA BMA BMA 0.432836 0.970588
149 BMA BMA BMA BMA BMA BMA 0.432836 0.970588
150 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
151 FUC GAL NAG GAL FUC 0.431818 0.723404
152 MAN BMA MAN 0.430556 0.970588
153 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.430108 0.68
154 CGC 0.428571 0.914286
155 GLA EGA 0.426471 0.971429
156 GLC GAL NAG GAL FUC A2G 0.424242 0.693878
157 MMA MAN 0.424242 0.971429
158 A2G GAL NAG FUC GAL GLC 0.424242 0.693878
159 DR5 0.424242 0.971429
160 FUC GAL NAG GAL BGC 0.423913 0.73913
161 GAL GLC NAG GAL FUC 0.423913 0.73913
162 GLC NAG GAL GAL FUC 0.423913 0.73913
163 GLA GAL GAL 0.422535 0.970588
164 LAT GLA 0.421875 0.970588
165 GAL GAL SO4 0.418919 0.647059
166 BGA 0.417582 0.618182
167 GAL NAG MAN 0.4125 0.755556
168 ABD 0.406977 0.772727
169 BGC GAL NAG GAL FUC FUC 0.40625 0.723404
170 GLC GAL NAG GAL FUC FUC 0.40625 0.723404
171 AIG FUC 0.405063 0.653846
172 GLA GAL NAG 0.405063 0.755556
173 MAN BMA NAG 0.405063 0.755556
174 NAG A2G GAL 0.404762 0.708333
175 RZM 0.402985 0.673913
176 T6P 0.402985 0.75
177 MAN MAN BMA MAN 0.402597 0.970588
178 GAL LOG 0.402597 0.607143
179 MAN MAN MAN MAN 0.402597 0.970588
180 BGC OXZ 0.4 0.653061
181 BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.970588
182 NAG BMA 0.4 0.673469
183 BMA MAN MAN MAN MAN 0.4 0.970588
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GW1; Ligand: CHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6gw1.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GW1; Ligand: CHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6gw1.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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