Receptor
PDB id Resolution Class Description Source Keywords
5E62 2.2 Å EC: 7.-.-.- HEF-MUT WITH TR323 COMPLEX INFLUENZA D VIRUS (D/SWINE/OKLAHOMA/13ORGANISM_TAXID: 1173138 INFLUENZA COMPLEX HEF HYDROLASE
Ref.: AN OPEN RECEPTOR-BINDING CAVITY OF HEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN FROM NEWLY-IDENTIFIED INFLUENZA D VIRUS: BASIS FOR ITS B TROPISM PLOS PATHOG. V. 12 05411 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG N:1;
K:1;
G:1;
L:1;
I:1;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN J:1;
E:1;
F:1;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
n/a n/a
Z3Q GAL 5N6 M:1;
H:1;
Valid;
Valid;
none;
none;
submit data
784.702 n/a O=C(O...
NAG D:703;
B:703;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E62 2.2 Å EC: 7.-.-.- HEF-MUT WITH TR323 COMPLEX INFLUENZA D VIRUS (D/SWINE/OKLAHOMA/13ORGANISM_TAXID: 1173138 INFLUENZA COMPLEX HEF HYDROLASE
Ref.: AN OPEN RECEPTOR-BINDING CAVITY OF HEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN FROM NEWLY-IDENTIFIED INFLUENZA D VIRUS: BASIS FOR ITS B TROPISM PLOS PATHOG. V. 12 05411 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5E62 - Z3Q GAL 5N6 n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5E62 - Z3Q GAL 5N6 n/a n/a
2 5E65 - GAL 5N6 n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5E62 - Z3Q GAL 5N6 n/a n/a
2 5E65 - GAL 5N6 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Z3Q GAL 5N6; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 Z3Q GAL 5N6 1 1
2 NGA POL GAL NGC AZI 0.637795 0.880597
3 GAL 5N6 0.630631 0.83871
4 A2G GAL SIA 0.615385 0.83871
5 GAL NGA GAL SIA 0.609756 0.83871
6 GAL SIA NGA GAL SIA 0.596774 0.83871
7 NGA GAL SIA 0.585366 0.822581
8 NAG GAL SIA 0.570248 0.83871
9 BGC GAL SIA NGA GAL SIA 0.568182 0.83871
10 NAG GAL SIA SIA 0.566929 0.825397
11 BGC GAL GLA NGA GAL SIA 0.56391 0.83871
12 GAL NGA GAL SIA SIA 0.558824 0.825397
13 GAL SIA NGA GAL SIA SIA 0.551471 0.825397
14 NDG GAL SIA SIA 0.542636 0.828125
15 MAG FUC GAL SIA 0.541985 0.809524
16 GAL SIA NGA GAL 0.534884 0.825397
17 BGC GAL SIA SIA 0.533835 0.825397
18 NAG FUC GAL SIA 0.530303 0.83871
19 BGC CEQ GAL SLB NGA GAL SIA SIA 0.529801 0.771429
20 NAG GAL NGC 0.527132 0.83871
21 NGS GAL SIA 0.526718 0.706667
22 SIA GAL NGA GAL 0.523077 0.83871
23 GAL NAG FUC GAL SIA 0.518248 0.83871
24 BGC GAL SIA NGA GAL 0.518248 0.83871
25 NGS FUC GLA SIA 0.503546 0.706667
26 GLC GAL NGC 0.5 0.806452
27 NAG GAL 5N6 0.496241 0.84127
28 NAG 2FG SIA 0.484615 0.787879
29 MBG NGC 0.479339 0.793651
30 2FG SIA 0.475 0.757576
31 GAL SIA SIA 0.46875 0.825397
32 BGC 16C GAL SIA 0.464516 0.797101
33 NAG GAL PKM 0.462687 0.825397
34 BGC GAL SIA NGA GAL FUC 0.46 0.83871
35 BGC 18C GAL SIA 0.458599 0.797101
36 BGC GAL SIA NAG 0.45 0.83871
37 GAL SIA NGA 0.44697 0.83871
38 GAL NAG GAL SIA 0.434783 0.825397
39 BGC 18C GAL SIA NGA GAL 0.421965 0.797101
40 CEQ BGC NGA GAL SIA SIA 0.419753 0.763889
41 BGC GAL SIA NGA SIA 0.418301 0.825397
42 BGC GAL SIA 0.414815 0.793651
43 BGC GAL NAG GAL SIA 0.409396 0.825397
44 NAG GAL NAG GAL SIA 0.402685 0.825397
Similar Ligands (3D)
Ligand no: 1; Ligand: Z3Q GAL 5N6; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E62; Ligand: Z3Q GAL 5N6; 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: 5e62.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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