Receptor
PDB id Resolution Class Description Source Keywords
6JJM 2.05 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MUMPS VIRUS HEMAGGLUTININ-NEURAMINIDASE THE OLIGOSACCHARIDE PORTION OF THE GM2 GANGLIOSIDE MUMPS RUBULAVIRUS GLYCOPROTEIN VIRAL PROTEIN BETA-PROPELLER RECEPTOR BINDIN
Ref.: MOLECULAR MECHANISM OF THE FLEXIBLE GLYCAN RECEPTOR RECOGNITION BY MUMPS VIRUS. J.VIROL. V. 93 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:603;
A:606;
B:603;
B:606;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG C:1;
F:1;
G:1;
D:1;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
408.404 n/a O=C(N...
SO4 A:611;
B:611;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
BGC GAL SIA NAG H:1;
E:1;
 Valid;
Valid;
 none;
none;
 submit data
835.739 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B2D 2.18 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MUMPS VIRUS HEMAGGLUTININ-NEURAMINIDASE 3-SIALYLLACTOSE MUMPS VIRUS GLYCOPROTEIN VIRAL PROTEIN BETA-PROPELLER RECEPTOR BINDIN
Ref.: TRISACCHARIDE CONTAINING ALPHA 2,3-LINKED SIALIC AC RECEPTOR FOR MUMPS VIRUS PROC.NATL.ACAD.SCI.USA V. 113 11579 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6JJM - BGC GAL SIA NAG n/a n/a
2 5B2D Kd = 56 uM GLC GAL SIA n/a n/a
3 6JJN - GAL NAG FUC GAL SIA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6JJM - BGC GAL SIA NAG n/a n/a
2 5B2D Kd = 56 uM GLC GAL SIA n/a n/a
3 6JJN - GAL NAG FUC GAL SIA n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - GLC GAL SIA n/a n/a
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
4 6JJM - BGC GAL SIA NAG n/a n/a
5 5B2D Kd = 56 uM GLC GAL SIA n/a n/a
6 6JJN - GAL NAG FUC GAL SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC GAL SIA NAG; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL SIA NAG 1 1
2 BGC GAL SIA NGA SIA 0.877193 0.981132
3 BGC GAL SIA NGA GAL 0.830357 1
4 GAL SIA NGA 0.807692 1
5 BGC GAL SIA NGA GAL SIA 0.80531 1
6 BGC GAL SIA NGA GAL FUC 0.756098 1
7 GAL NGA GAL SIA 0.710526 1
8 SIA GAL NGA GAL 0.681035 1
9 BGC GAL GLA NGA GAL SIA 0.680328 1
10 GLC GAL NGC 0.672566 0.924528
11 GAL SIA NGA GAL SIA 0.666667 1
12 BGC GAL SIA SIA 0.661157 0.981132
13 BGC GAL SIA 0.634783 0.943396
14 GAL NGA GAL SIA SIA 0.632812 0.981132
15 NAG GAL SIA 0.626087 1
16 BGC GAL NAG GAL SIA 0.617188 0.981132
17 NAG GAL NGC 0.603306 0.962264
18 GAL SIA NGA GAL SIA SIA 0.6 0.981132
19 GAL SIA NGA GAL 0.585366 0.981132
20 A2G GAL SIA 0.576271 1
21 NGS GAL SIA 0.563492 0.787879
22 BGC CEQ GAL SLB NGA GAL SIA SIA 0.561644 0.83871
23 GAL NAG FUC GAL SIA 0.55303 1
24 CEQ BGC NGA GAL SIA SIA 0.544218 0.8
25 NAG FUC GAL SIA 0.542636 1
26 2FG SIA 0.539823 0.892857
27 BGC 18C GAL SIA NGA GAL 0.537975 0.83871
28 NAG GAL NAG GAL SIA 0.537313 0.981132
29 NGA GAL SIA 0.536 0.980769
30 NAG 2FG SIA 0.532258 0.928571
31 NDG GAL SIA SIA 0.53125 0.945455
32 NAG GAL SIA SIA 0.53125 0.981132
33 MAG FUC GAL SIA 0.530769 0.962264
34 BGC GAL NGA 0.52381 0.865385
35 BGC GAL NAG 0.518519 0.865385
36 BGC GAL GLA NGA 0.508929 0.865385
37 NAG GAL PKM 0.507812 0.981132
38 MBG NGC 0.504274 0.907407
39 GAL SIA SIA 0.504065 0.981132
40 GAL NAG GAL SIA 0.5 0.981132
41 GAL 5N6 0.495798 0.962264
42 NGS FUC GLA SIA 0.492857 0.787879
43 NGA POL GAL NGC AZI 0.485507 0.784615
44 BGC 16C GAL SIA 0.483444 0.83871
45 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.481707 0.852459
46 C4W NAG FUC BMA MAN NAG GAL SIA 0.474359 0.852459
47 NAG GAL 5N6 0.473684 0.962963
48 BGC 18C GAL SIA 0.467532 0.83871
49 Z3Q GAL 5N6 0.45 0.83871
50 SIA CMO 0.443396 0.87037
51 BMA MAN NAG 0.442478 0.865385
52 GAL SIA 0.435897 0.924528
53 AMU NAG 0.431034 0.961538
54 BGC GAL FUC A2G 0.430894 0.884615
55 GLC GAL NAG GAL FUC A2G 0.421053 0.942308
56 BGC GAL NAG GAL 0.418803 0.865385
57 BGC GAL GLA NGA GAL 0.416667 0.865385
58 AMV NAG AMU NAG 0.414634 0.943396
59 BGC GAL NGA GAL 0.413793 0.865385
60 NAG GAL NAG 0.413793 0.923077
61 BGC GAL NAG NAG GAL GAL 0.40625 0.923077
62 NAG NAG BMA MAN NAG 0.404762 0.942308
63 GDL NAG 0.40367 0.923077
64 NDG NAG NAG NAG NAG 0.401786 0.942308
65 NAG NAG NAG NAG NAG NAG 0.401786 0.942308
66 NAG NAG NAG NAG NAG 0.401786 0.942308
67 NAG NAG NAG NAG NAG NAG NAG NAG 0.401786 0.942308
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GAL SIA NAG; 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 : 5B2D; Ligand: GLC 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: 1) in the query (biounit: 5b2d.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5B2D; Ligand: GLC 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: 5b2d.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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