Receptor
PDB id Resolution Class Description Source Keywords
5E65 2.2 Å EC: 7.-.-.- THE COMPLEX STRUCTURE OF HEMAGGLUTININ-ESTERASE-FUSION MUTAN FROM THE INFLUENZA D VIRUS WITH RECEPTOR ANALOG 9-O-AC-3'SL INFLUENZA D VIRUS (D/SWINE/OKLAHOMA/13ORGANISM_TAXID: 1173138 INFLUENZA VIRUS HEF MEMBRANE 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;
I:1;
G:1;
L:1;
K: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
NAG D:703;
B:703;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
GAL 5N6 M:1;
H:1;
 Valid;
Valid;
 none;
none;
 submit data
512.441 n/a O=C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E65 2.2 Å EC: 7.-.-.- THE COMPLEX STRUCTURE OF HEMAGGLUTININ-ESTERASE-FUSION MUTAN FROM THE INFLUENZA D VIRUS WITH RECEPTOR ANALOG 9-O-AC-3'SL INFLUENZA D VIRUS (D/SWINE/OKLAHOMA/13ORGANISM_TAXID: 1173138 INFLUENZA VIRUS HEF MEMBRANE 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 5E65 - 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: GAL 5N6; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 5N6 1 1
2 GAL SIA SIA 0.697917 0.944444
3 2FG SIA 0.652174 0.892857
4 A2G GAL SIA 0.64 0.962264
5 Z3Q GAL 5N6 0.630631 0.83871
6 NAG GAL SIA 0.601942 0.962264
7 GAL SIA NGA GAL SIA 0.601852 0.962264
8 NGA GAL SIA 0.588785 0.943396
9 GAL NGA GAL SIA 0.587156 0.962264
10 NAG GAL SIA SIA 0.567568 0.944444
11 GAL NAG FUC GAL SIA 0.564103 0.962264
12 NAG GAL 5N6 0.553571 0.962963
13 GAL SIA NGA 0.551402 0.962264
14 BGC GAL GLA NGA GAL SIA 0.550847 0.962264
15 NAG GAL NGC 0.54955 0.925926
16 NGS GAL SIA 0.548673 0.761194
17 SIA GAL NGA GAL 0.544643 0.962264
18 BGC GAL SIA SIA 0.543103 0.944444
19 BGC GAL SIA NGA GAL SIA 0.542373 0.962264
20 NAG 2FG SIA 0.541284 0.894737
21 MBG NGC 0.54 0.907407
22 NDG GAL SIA SIA 0.539823 0.910714
23 NAG FUC GAL SIA 0.53913 0.962264
24 GAL SIA NGA GAL SIA SIA 0.53719 0.944444
25 GAL NGA GAL SIA SIA 0.520325 0.944444
26 GLC GAL NGC 0.518182 0.924528
27 MAG FUC GAL SIA 0.512821 0.925926
28 GAL SIA NGA GAL 0.504348 0.944444
29 BGC GAL SIA NGA GAL 0.5 0.962264
30 NGA POL GAL NGC AZI 0.5 0.757576
31 NGS FUC GLA SIA 0.496 0.761194
32 BGC GAL SIA NAG 0.495798 0.962264
33 GAL NAG GAL SIA 0.491379 0.944444
34 SIA CMO 0.488636 0.90566
35 GAL SIA 0.474747 0.924528
36 NAG GAL PKM 0.474138 0.944444
37 BGC GAL SIA NGA GAL FUC 0.458647 0.962264
38 BGC GAL SIA 0.45614 0.943396
39 BGC GAL SIA NGA SIA 0.443609 0.944444
40 BGC 16C GAL SIA 0.442857 0.83871
41 BGC CEQ GAL SLB NGA GAL SIA SIA 0.440559 0.83871
42 BGC 18C GAL SIA 0.43662 0.83871
43 MNA 0.428571 0.886792
44 SIA SIA 0.423077 0.925926
45 NAG SIA 0.420561 0.877193
46 SLB SIA SIA SIA 0.419048 0.925926
47 SLB SIA SIA 0.419048 0.925926
48 SIA SIA SIA SIA SIA SIA SIA 0.419048 0.925926
49 SLB SIA SIA SIA SIA 0.419048 0.925926
50 BGC GAL NAG GAL SIA 0.412214 0.944444
51 NAG GAL NAG GAL SIA 0.40458 0.944444
52 SIO 0.40404 0.851852
53 SIA SIA SIA 0.4 0.925926
Similar Ligands (3D)
Ligand no: 1; Ligand: 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 : 5E65; Ligand: 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: 5e65.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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