Receptor
PDB id Resolution Class Description Source Keywords
3ry8 1.4 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR NOROVIRUS INHIBITION AND FUCOSE MIMICRY CITRATE NORWALK VIRUS VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR NOROVIRUS INHIBITION AND FUCOS BY CITRATE. J.VIROL. V. 86 284 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:10;
A:11;
A:4;
A:5;
A:6;
A:8;
A:9;
B:1;
B:2;
B:3;
B:7;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FLC A:1;
Valid;
none;
Kd = 460 uM
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RY8 1.4 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR NOROVIRUS INHIBITION AND FUCOSE MIMICRY CITRATE NORWALK VIRUS VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR NOROVIRUS INHIBITION AND FUCOS BY CITRATE. J.VIROL. V. 86 284 2012
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 793 families.
1 3PA2 - FUC GAL NAG FUC n/a n/a
2 3Q38 - FUC GAL GLA n/a n/a
3 3ONY - FUC C6 H12 O5 CC1C(C(C(C....
4 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
5 3Q3A - FUL GAL NAG n/a n/a
6 3PA1 - FUC GAL A2G n/a n/a
7 3Q39 - FUC GAL n/a n/a
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 688 families.
1 3R6K - FUC GAL GLA n/a n/a
2 4OPS - FUC GAL NAG FUC n/a n/a
3 4OPO - FUC NAG GAL FUC n/a n/a
4 4WZL - FUC NDG GAL n/a n/a
5 4X05 - FUC GLA GLA n/a n/a
6 4WZT - FUC GLA A2G n/a n/a
7 4X0C - FUC NDG GAL n/a n/a
8 4WZK - FUC GAL NDG n/a n/a
9 4X06 - FUC GLA GLA n/a n/a
10 4WZE - FUC NDG GAL FUC n/a n/a
11 4OP7 - FUC GLA GLA n/a n/a
12 4X07 - FUC GLA A2G n/a n/a
13 3PA2 - FUC GAL NAG FUC n/a n/a
14 3Q38 - FUC GAL GLA n/a n/a
15 3ONY - FUC C6 H12 O5 CC1C(C(C(C....
16 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
17 3Q3A - FUL GAL NAG n/a n/a
18 3PA1 - FUC GAL A2G n/a n/a
19 3Q39 - FUC GAL n/a n/a
20 3PUN - FUC GAL NDG FUC n/a n/a
21 3PVD - SIA GAL NDG FUC n/a n/a
22 2OBS - FUC GL0 A2G n/a n/a
23 2OBT - FUC GAL GLA n/a n/a
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 623 families.
1 3R6K - FUC GAL GLA n/a n/a
2 4OPS - FUC GAL NAG FUC n/a n/a
3 4OPO - FUC NAG GAL FUC n/a n/a
4 4WZL - FUC NDG GAL n/a n/a
5 4X05 - FUC GLA GLA n/a n/a
6 4WZT - FUC GLA A2G n/a n/a
7 4X0C - FUC NDG GAL n/a n/a
8 4WZK - FUC GAL NDG n/a n/a
9 4X06 - FUC GLA GLA n/a n/a
10 4WZE - FUC NDG GAL FUC n/a n/a
11 4OP7 - FUC GLA GLA n/a n/a
12 4X07 - FUC GLA A2G n/a n/a
13 3PA2 - FUC GAL NAG FUC n/a n/a
14 3Q38 - FUC GAL GLA n/a n/a
15 3ONY - FUC C6 H12 O5 CC1C(C(C(C....
16 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
17 3Q3A - FUL GAL NAG n/a n/a
18 3PA1 - FUC GAL A2G n/a n/a
19 3Q39 - FUC GAL n/a n/a
20 4P25 - FUC GAL NAG FUC n/a n/a
21 4P3I - GAL NAG FUC n/a n/a
22 4P2N - GAL NAG FUC n/a n/a
23 4P26 - A2G GAL NAG FUC n/a n/a
24 4P1V - FUC GAL NAG n/a n/a
25 3PUN - FUC GAL NDG FUC n/a n/a
26 3PVD - SIA GAL NDG FUC n/a n/a
27 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
28 3D26 - NGA GAL FUC n/a n/a
29 2ZL7 - FUC GAL NGA n/a n/a
30 2OBS - FUC GL0 A2G n/a n/a
31 2OBT - FUC GAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RY8; Ligand: FLC; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 3ry8.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1Y8E SVR 0.01043 0.41374
2 3CM2 X23 0.01311 0.41155
3 1OFL NGK GCD 0.01437 0.40933
4 4MTI 2DX 0.01467 0.40651
5 2BVE PH5 0.01446 0.40605
6 3IWD M2T 0.01472 0.40262
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