Receptor
PDB id Resolution Class Description Source Keywords
2ZL7 1.35 Å NON-ENZYME: OTHER ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-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 RECOGNITION 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...
FUC GAL NGA B:1;
Valid;
none;
submit data
532.516 n/a O(C1C...
MG A:519;
B:520;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
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 OF HISTO-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 RECOGNITION 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 1443 families.
1 5N7M - GLC GAL FUC n/a n/a
2 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
3 2ZL7 - FUC GAL NGA n/a n/a
4 3D26 - NGA GAL FUC 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 1205 families.
1 4RDL - FUC GAL NDG FUC n/a n/a
2 4RDK - FUC NDG GAL FUC n/a n/a
3 5N7M - GLC GAL FUC n/a n/a
4 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
5 2ZL7 - FUC GAL NGA n/a n/a
6 3D26 - NGA GAL FUC n/a n/a
7 4P25 - FUC GAL NAG FUC n/a n/a
8 4P3I - GAL NAG FUC n/a n/a
9 4P2N - GAL NAG FUC n/a n/a
10 4P26 - A2G GAL NAG FUC n/a n/a
11 4P1V - FUC GAL NAG 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 NGA; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC GAL NGA 1 1
2 FUC GLA GLA 0.671429 0.708333
3 GAL GAL FUC 0.671429 0.708333
4 GLA GLA FUC 0.671429 0.708333
5 GLA GAL FUC 0.671429 0.708333
6 FUC GAL GLA 0.671429 0.708333
7 FUC GLA A2G 0.580247 0.918367
8 FUC GAL A2G 0.580247 0.918367
9 NGA GAL FUC 0.580247 0.918367
10 A2G GAL FUC 0.580247 0.918367
11 A2G GLA FUC 0.580247 0.918367
12 FUC GAL 0.513889 0.6875
13 GLA MAN ABE 0.47619 0.68
14 FUC BGC GAL 0.45679 0.708333
15 BGC GLA GAL FUC 0.438202 0.708333
16 8B7 0.428571 0.708333
17 BGC GAL FUC 0.428571 0.708333
18 GLC GAL FUC 0.428571 0.708333
19 LAT FUC 0.428571 0.708333
20 FUC GAL GLC 0.428571 0.708333
21 DR3 0.422222 0.918367
22 FUC NAG 0.406977 0.830189
23 GAL NAG GAL FUC 0.40625 0.918367
24 GLA NAG GAL FUC 0.40625 0.918367
25 FUC NDG GAL 0.4 0.918367
26 GLC FUC GAL FUC A2G 0.4 0.9
27 GAL NDG FUC 0.4 0.918367
28 BGC FUC GAL FUC A2G 0.4 0.9
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZL7; Ligand: FUC GAL 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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