Receptor
PDB id Resolution Class Description Source Keywords
2ZL7 1.35 Å NON-ENZYME: OTHER ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION BLOOD GROUP ANTIGENS BY NORWALK VIRUS NORWALK VIRUS NOROVIRUS NORWALK VIRUS HBGA HISTO-BLOOD GROUP ANTIGEN CARBOHYDRATE VP1 P-DOMAIN VIRAL PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RE OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS PROC.NATL.ACAD.SCI.USA V. 105 9175 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:520;
B:521;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:1;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MG A:519;
B:520;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GAL FUC NGA C:1;
Valid;
none;
submit data
532.516 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZL7 1.35 Å NON-ENZYME: OTHER ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION BLOOD GROUP ANTIGENS BY NORWALK VIRUS NORWALK VIRUS NOROVIRUS NORWALK VIRUS HBGA HISTO-BLOOD GROUP ANTIGEN CARBOHYDRATE VP1 P-DOMAIN VIRAL PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RE OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS PROC.NATL.ACAD.SCI.USA V. 105 9175 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5N7M - GLC GAL FUC n/a n/a
2 2ZL6 - BGC GAL NAG GAL FUC n/a n/a
3 2ZL7 - GAL FUC NGA n/a n/a
4 3D26 - GAL FUC NGA n/a n/a
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4RDL - NDG FUC GAL FUC n/a n/a
2 4RDK - NDG GAL FUC FUC n/a n/a
3 5N7M - GLC GAL FUC n/a n/a
4 2ZL6 - BGC GAL NAG GAL FUC n/a n/a
5 2ZL7 - GAL FUC NGA n/a n/a
6 3D26 - GAL FUC NGA n/a n/a
7 4P25 - NAG FUC GAL FUC n/a n/a
8 4P3I - NAG GAL FUC n/a n/a
9 4P2N - NAG FUC GAL n/a n/a
10 4P26 - NAG GAL FUC A2G n/a n/a
11 4P1V - NAG GAL FUC 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: GAL FUC NGA; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL FUC NGA 1 1
2 GAL FUC GAL 0.671429 0.708333
3 GAL FUC A2G 0.580247 0.918367
4 NDG GAL FUC FUC 0.517241 0.979592
5 NDG NAG NAG NAG 0.487805 0.96
6 MAN GLA ABE 0.47619 0.68
7 GLC BGC FUC GAL 0.45679 0.708333
8 BGC FUC GAL 0.45679 0.708333
9 BGC GAL FUC GLA 0.438202 0.708333
10 BGC GAL FUC 0.428571 0.708333
11 GLC GAL BGC FUC 0.428571 0.708333
12 NAG FUC 0.426829 0.897959
13 NAG GAL FUC 0.422222 0.918367
14 HSH GLA FUC 0.406593 0.625
15 GAL NAG FUC GAL 0.40625 0.918367
16 NAG GAL FUC GLA 0.402062 0.918367
17 BMA MAN MAN MAN 0.4 0.714286
18 BGC FUC GAL FUC A2G 0.4 0.9
19 NAG FUC GAL 0.4 0.918367
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL FUC NGA; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GLA FUC A2G 0.9651
2 A2G GAL FUC 0.9621
3 GL0 FUC A2G 0.9508
4 GAL FUC GLA 0.9188
5 GLA FUC GLA 0.9018
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZL7; Ligand: GAL FUC NGA; 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: 2zl7.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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