Receptor
PDB id Resolution Class Description Source Keywords
4P25 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THE P DOMAIN FROM A GI.7 NOROVIRUS VARIANT IN C WITH LEY HBGA. NOROVIRUS HU/GI.7/TCH-060/USA/2003 P DOMAIN CAPSID PROTEIN NOROVIRUS HBGA LEY LEWIS HBGA PROTEIN
Ref.: STRUCTURAL ANALYSIS OF DETERMINANTS OF HISTO-BLOOD ANTIGEN BINDING SPECIFICITY IN GENOGROUP I NOROVIRU J.VIROL. V. 88 6168 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG FUC GAL FUC F:1;
E:1;
G:1;
H:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P25 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THE P DOMAIN FROM A GI.7 NOROVIRUS VARIANT IN C WITH LEY HBGA. NOROVIRUS HU/GI.7/TCH-060/USA/2003 P DOMAIN CAPSID PROTEIN NOROVIRUS HBGA LEY LEWIS HBGA PROTEIN
Ref.: STRUCTURAL ANALYSIS OF DETERMINANTS OF HISTO-BLOOD ANTIGEN BINDING SPECIFICITY IN GENOGROUP I NOROVIRU J.VIROL. V. 88 6168 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 4P25 - NAG FUC GAL FUC n/a n/a
2 4P3I - NAG GAL FUC n/a n/a
3 4P2N - NAG FUC GAL n/a n/a
4 4P26 - NAG GAL FUC A2G n/a n/a
5 4P1V - NAG 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 1312 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 1130 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 = 0.00000145 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 = 0.00000145 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 = 0.00000145 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
Ligand no: 1; Ligand: NAG FUC GAL FUC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P25; Ligand: FUC GAL NAG FUC; 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: 4p25.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4P25; Ligand: FUC GAL NAG FUC; 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: 4p25.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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