Receptor
PDB id Resolution Class Description Source Keywords
2WR4 2.5 Å NON-ENZYME: BINDING STRUCTURE OF INFLUENZA H2 DUCK ONTARIO HEMAGGLUTININ WITH HU RECEPTOR UNIDENTIFIED INFLUENZA VIRUS VIRAL PROTEIN GLYCOPROTEIN ENVELOPE PROTEIN LIPROPROTEIN
Ref.: FROM THE COVER: STRUCTURES OF RECEPTOR COMPLEXES FO HEMAGGLUTININS FROM THE ASIAN INFLUENZA PANDEMIC OF PROC.NATL.ACAD.SCI.USA V. 106 17175 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG GAL SIA D:1;
Valid;
none;
submit data
673.598 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WR1 2.1 Å NON-ENZYME: BINDING STRUCTURE OF INFLUENZA H2 HEMAGGLUTININ WITH HUMAN RECEPTOR UNIDENTIFIED INFLUENZA VIRUS GLYCOPROTEIN LIPOPROTEIN ENVELOPE PROTEIN VIRAL PROTEIN
Ref.: FROM THE COVER: STRUCTURES OF RECEPTOR COMPLEXES FO HEMAGGLUTININS FROM THE ASIAN INFLUENZA PANDEMIC OF PROC.NATL.ACAD.SCI.USA V. 106 17175 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2WR1 - NAG GAL SIA n/a n/a
2 2WR4 - NAG GAL SIA n/a n/a
3 2WR2 - NAG GAL SIA n/a n/a
4 2WR3 - NAG GAL SIA n/a n/a
5 2WR7 - GAL NAG GAL SIA n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2WR1 - NAG GAL SIA n/a n/a
2 2WR4 - NAG GAL SIA n/a n/a
3 2WR2 - NAG GAL SIA n/a n/a
4 2WR3 - NAG GAL SIA n/a n/a
5 2WR7 - GAL NAG GAL SIA n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2WR1 - NAG GAL SIA n/a n/a
2 2WR4 - NAG GAL SIA n/a n/a
3 2WR2 - NAG GAL SIA n/a n/a
4 2WR3 - NAG GAL SIA n/a n/a
5 2WR7 - GAL NAG GAL SIA n/a n/a
6 4WA2 Kd = 14.19 uM NAG GAL SIA n/a n/a
7 2YP8 - SIA C11 H19 N O9 CC(=O)N[C@....
8 2YP9 - SIA CMO n/a n/a
9 2YP4 - BGC GAL NAG GAL SIA n/a n/a
10 4WEA - SIA C11 H19 N O9 CC(=O)N[C@....
11 2YP5 - GAL SIA n/a n/a
12 2YP3 - NAG GAL SIA n/a n/a
13 5XLA - SIA C11 H19 N O9 CC(=O)N[C@....
14 5XL9 - SIA C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GAL SIA; Similar ligands found: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL SIA 1 1
2 NAG GAL NGC 0.905263 0.962264
3 NGS GAL SIA 0.821782 0.787879
4 A2G GAL SIA 0.783505 1
5 NAG GAL PKM 0.782178 0.981132
6 GAL NGA GAL SIA 0.75 1
7 BGC GAL SIA SIA 0.724771 0.981132
8 NAG FUC GAL SIA 0.722222 1
9 NGA GAL SIA 0.721154 0.980769
10 GAL SIA NGA GAL SIA 0.716981 1
11 NAG GAL SIA SIA 0.71028 0.981132
12 GLC GAL NGC 0.708738 0.924528
13 BGC GAL SIA NGA GAL SIA 0.705357 1
14 BGC GAL GLA NGA GAL SIA 0.699115 1
15 NDG GAL SIA SIA 0.678899 0.945455
16 NAG GAL NAG GAL SIA 0.663793 0.981132
17 GAL NGA GAL SIA SIA 0.661017 0.981132
18 MAG FUC GAL SIA 0.660714 0.962264
19 GAL NAG FUC GAL SIA 0.655172 1
20 2FG SIA 0.642857 0.892857
21 BGC GAL SIA NGA GAL 0.641026 1
22 GAL SIA NGA GAL SIA SIA 0.638655 0.981132
23 NGS FUC GLA SIA 0.633333 0.787879
24 BGC GAL SIA NAG 0.626087 1
25 SIA GAL NGA GAL 0.625 1
26 NAG 2FG SIA 0.623853 0.928571
27 MBG NGC 0.613861 0.907407
28 NGA POL GAL NGC AZI 0.613445 0.784615
29 GAL SIA SIA 0.607477 0.981132
30 GAL SIA NGA 0.605505 1
31 NAG GAL 5N6 0.605263 0.962963
32 GAL 5N6 0.601942 0.962264
33 GAL SIA NGA GAL 0.596491 0.981132
34 BGC 16C GAL SIA 0.586466 0.83871
35 BGC GAL SIA NGA GAL FUC 0.585938 1
36 BGC GAL NAG GAL SIA 0.577236 0.981132
37 BGC GAL SIA 0.576577 0.943396
38 Z3Q GAL 5N6 0.570248 0.83871
39 BGC 18C GAL SIA 0.566176 0.83871
40 BGC GAL SIA NGA SIA 0.55814 0.981132
41 BGC CEQ GAL SLB NGA GAL SIA SIA 0.546763 0.83871
42 GAL NAG GAL SIA 0.516667 0.981132
43 SIA CMO 0.505376 0.87037
44 GAL SIA 0.490385 0.924528
45 NAG GAL GAL 0.489796 0.865385
46 CEQ BGC NGA GAL SIA SIA 0.486111 0.8
47 NAG GAL 0.473118 0.865385
48 NAG GAL NAG GAL NAG GAL 0.466667 0.942308
49 NAG GAL NAG GAL 0.466667 0.923077
50 NAG GAL NAG 0.466019 0.923077
51 BGC 18C GAL SIA NGA GAL 0.464968 0.83871
52 MNA 0.447917 0.851852
53 SIA SIA 0.440367 0.962264
54 NAG SIA 0.4375 0.910714
55 SLB SIA SIA SIA SIA 0.436364 0.962264
56 SLB SIA SIA 0.436364 0.962264
57 SLB SIA SIA SIA 0.436364 0.962264
58 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.962264
59 SIA SIA SIA 0.429825 0.962264
60 NAG NAG BMA MAN NAG 0.426087 0.942308
61 NAG G6S 0.419048 0.727273
62 NAG GAL UNU 0.418182 0.90566
63 GDL NAG 0.414141 0.923077
64 WIA SIA 0.412281 0.894737
65 NDG NAG NAG NAG NAG 0.411765 0.942308
66 NAG NAG NAG NAG NAG NAG NAG NAG 0.411765 0.942308
67 NAG NAG NAG NAG NAG 0.411765 0.942308
68 NAG NAG NAG NAG NAG NAG 0.411765 0.942308
69 C4W NAG FUC BMA MAN NAG GAL SIA 0.409091 0.852459
70 NAG NAG 0.407767 0.942308
71 NAG NAG NAG TMX 0.407407 0.864407
72 NAG NAG MAN MAN MAN 0.403361 0.923077
73 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.402439 0.852459
74 NAG BMA MAN MAN MAN MAN 0.401709 0.865385
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAL SIA; Similar ligands found: 2
No: Ligand Similarity coefficient
1 GLC GAL SIA 0.9303
2 GAL BGC SIA 0.8989
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WR1; Ligand: NAG; 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: 2wr1.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WR1; Ligand: NAG GAL SIA; 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: 2wr1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2WR1; Ligand: NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2wr1.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2WR1; Ligand: NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2wr1.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2WR1; Ligand: NAG GAL SIA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2wr1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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