Receptor
PDB id Resolution Class Description Source Keywords
6JJN 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MUMPS VIRUS HEMAGGLUTININ-NEURAMINIDASE SIALYL LEWISX 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;
B:603;
A:606;
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 B:612;
A:612;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
GAL NAG FUC GAL SIA H:1;
E:1;
 Valid;
Valid;
 none;
none;
 submit data
981.881 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: GAL NAG FUC GAL SIA; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG FUC GAL SIA 1 1
2 MAG FUC GAL SIA 0.821429 0.962264
3 NAG FUC GAL SIA 0.80531 1
4 NGS FUC GLA SIA 0.739837 0.787879
5 GAL SIA NGA GAL SIA 0.694915 1
6 BGC GAL GLA NGA GAL SIA 0.68 1
7 GAL NGA GAL SIA 0.666667 1
8 A2G GAL SIA 0.66087 1
9 NAG GAL SIA 0.655172 1
10 GAL SIA NGA GAL SIA SIA 0.651163 0.981132
11 BGC GAL SIA NGA GAL SIA 0.645669 1
12 BGC GAL SIA NGA GAL FUC 0.637037 1
13 SIA GAL NGA GAL 0.626016 1
14 BGC GAL SIA SIA 0.622047 0.981132
15 GAL NGA GAL SIA SIA 0.621212 0.981132
16 NGS GAL SIA 0.616 0.787879
17 NAG GAL SIA SIA 0.608 0.981132
18 NAG GAL NGC 0.604839 0.962264
19 BGC GAL SIA NGA GAL 0.603053 1
20 NGA GAL SIA 0.601626 0.980769
21 GAL NAG GAL SIA 0.6 0.981132
22 GAL SIA SIA 0.596639 0.981132
23 NDG GAL SIA SIA 0.595238 0.945455
24 GAL NAG FUC GAL 0.590909 0.884615
25 GLC GAL NGC 0.577236 0.924528
26 GAL SIA NGA GAL 0.574803 0.981132
27 GAL SIA NGA 0.569106 1
28 GAL 5N6 0.564103 0.962264
29 2FG SIA 0.556522 0.892857
30 BGC CEQ GAL SLB NGA GAL SIA SIA 0.553333 0.83871
31 BGC GAL SIA NAG 0.55303 1
32 NGA POL GAL NGC AZI 0.544118 0.784615
33 GAL NAG GAL FUC FUC 0.543103 0.903846
34 NAG 2FG SIA 0.535433 0.928571
35 BGC 16C GAL SIA 0.526667 0.83871
36 BGC GAL NAG GAL SIA 0.52518 0.981132
37 NAG GAL PKM 0.523077 0.981132
38 MBG NGC 0.521008 0.907407
39 BGC GAL SIA NGA SIA 0.520833 0.981132
40 BGC 18C GAL SIA 0.519737 0.83871
41 Z3Q GAL 5N6 0.518248 0.83871
42 NAG GAL NAG GAL SIA 0.517986 0.981132
43 BGC GAL SIA 0.496124 0.943396
44 BGC GAL NAG GAL FUC FUC 0.480315 0.903846
45 BGC 18C GAL SIA NGA GAL 0.47619 0.83871
46 GLA NAG FUC GAL 0.467213 0.903846
47 CEQ BGC NGA GAL SIA SIA 0.459119 0.8
48 GLA NAG GAL FUC 0.458333 0.884615
49 BGC FUC GAL NAG 0.455285 0.884615
50 MAG FUC SGA 0.447154 0.731343
51 BGC FUC GAL NAG GAL 0.445312 0.884615
52 GAL SIA 0.441667 0.924528
53 MAG SGA FUC 0.435484 0.742424
54 NAG GAL 5N6 0.425532 0.962963
55 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.425287 0.852459
56 C4W NAG FUC BMA MAN NAG GAL SIA 0.424242 0.852459
57 SIA CMO 0.423423 0.87037
58 GAL NAG GAL NAG GAL 0.409836 0.923077
59 NAG FUC GAL 0.40678 0.884615
60 BGC GAL NAG GAL FUC 0.40458 0.884615
61 SIA SIA SIA 0.403101 0.962264
62 SIA SIA 0.4 0.962264
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL NAG FUC GAL SIA; 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
APoc FAQ
Feedback