Receptor
PDB id Resolution Class Description Source Keywords
5CPY 1.93 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF MURINE POLYOMAVIRUS PTA STRAIN VP1 IN C WITH THE GD1A GLYCAN MURINE POLYOMAVIRUS MURINE POLYOMAVIRUS VIRUS PROTEIN CARBOHYDRATE COMPLEX VIINTERACTION VIRAL PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF MURINE POLYOM CAPSID PROTEINS ESTABLISH THE DETERMINANTS OF LIGAN RECOGNITION AND PATHOGENICITY. PLOS PATHOG. V. 11 05104 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:401;
B:406;
A:406;
A:401;
D:406;
D:407;
E:405;
B:401;
C:405;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GAL NGA GAL SIA J:1;
G:1;
H:1;
F:1;
I:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
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
5CPZ 1.71 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF MURINE POLYOMAVIRUS RA STRAIN VP1 IN CO THE GT1A GLYCAN MURINE POLYOMAVIRUS (STRAIN P16 SMALL-ORGANISM_COMMON: MPYV MURINE POLYOMAVIRUS VIRUS PROTEIN CARBOHYDRATE COMPLEX VIINTERACTION VIRAL PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF MURINE POLYOM CAPSID PROTEINS ESTABLISH THE DETERMINANTS OF LIGAN RECOGNITION AND PATHOGENICITY. PLOS PATHOG. V. 11 05104 2015
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 5CPZ - GAL NGA GAL SIA SIA n/a n/a
2 5CPW - GAL SIA NGA GAL SIA SIA n/a n/a
3 5CQ0 - GAL NGA GAL SIA n/a n/a
4 5CPY - GAL NGA GAL SIA n/a n/a
5 1VPS - NAG GAL SIA SIA n/a n/a
6 5CPX - NAG GAL SIA n/a n/a
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 5CPZ - GAL NGA GAL SIA SIA n/a n/a
2 5CPW - GAL SIA NGA GAL SIA SIA n/a n/a
3 5CQ0 - GAL NGA GAL SIA n/a n/a
4 5CPY - GAL NGA GAL SIA n/a n/a
5 1VPS - NAG GAL SIA SIA n/a n/a
6 5CPX - NAG GAL SIA n/a n/a
7 4U60 - BGC GAL SIA NGA GAL n/a n/a
8 6HKV - GXB C92 H139 N19 O39 CC(=O)NCCN....
9 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
10 4U61 - GAL SIA n/a n/a
11 6HKU - GLC GAL SIA n/a n/a
12 4POR - BGC GAL SIA n/a n/a
13 4POS - NAG GAL SIA n/a n/a
14 4POT - NAG GAL NGC n/a n/a
15 4MJ0 - SIA SIA n/a n/a
16 3NXD - BGC GAL NAG GAL SIA n/a n/a
17 4X16 - SIA C11 H19 N O9 CC(=O)N[C@....
18 4X15 - BGC GAL SIA NGA n/a n/a
19 4X10 - GAL SIA NGA n/a n/a
20 4X0Z - BGC GAL SIA NGA GAL n/a n/a
21 4X17 - SIA SIA n/a n/a
22 4JCF - NAG GAL SIA n/a n/a
23 4X12 - SIA SIA n/a n/a
24 4X14 - BGC GAL SIA NGA GAL n/a n/a
25 4X11 - SIA C11 H19 N O9 CC(=O)N[C@....
26 4X13 - BGC GAL NAG GAL SIA n/a n/a
27 4MBY - GAL SIA n/a n/a
28 4MBZ - GAL SIA n/a n/a
29 4FMI - NAG GAL SIA n/a n/a
30 4FMJ - SIA C11 H19 N O9 CC(=O)N[C@....
31 4FMH - GAL SIA n/a n/a
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 5CPZ - GAL NGA GAL SIA SIA n/a n/a
2 5CPW - GAL SIA NGA GAL SIA SIA n/a n/a
3 5CQ0 - GAL NGA GAL SIA n/a n/a
4 5CPY - GAL NGA GAL SIA n/a n/a
5 1VPS - NAG GAL SIA SIA n/a n/a
6 5CPX - NAG GAL SIA n/a n/a
7 4U60 - BGC GAL SIA NGA GAL n/a n/a
8 6HKV - GXB C92 H139 N19 O39 CC(=O)NCCN....
9 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
10 4U61 - GAL SIA n/a n/a
11 6HKU - GLC GAL SIA n/a n/a
12 3BWR Kd ~ 3 mM BGC GAL SIA NGA GAL n/a n/a
13 4POR - BGC GAL SIA n/a n/a
14 4POS - NAG GAL SIA n/a n/a
15 4POT - NAG GAL NGC n/a n/a
16 6Y5Y - BGC GAL SIA n/a n/a
17 4MJ0 - SIA SIA n/a n/a
18 6Y64 - GAL SIA n/a n/a
19 3NXD - BGC GAL NAG GAL SIA n/a n/a
20 4X16 - SIA C11 H19 N O9 CC(=O)N[C@....
21 4X15 - BGC GAL SIA NGA n/a n/a
22 4X10 - GAL SIA NGA n/a n/a
23 4X0Z - BGC GAL SIA NGA GAL n/a n/a
24 4X17 - SIA SIA n/a n/a
25 4JCF - NAG GAL SIA n/a n/a
26 4X12 - SIA SIA n/a n/a
27 4X14 - BGC GAL SIA NGA GAL n/a n/a
28 4X11 - SIA C11 H19 N O9 CC(=O)N[C@....
29 4X13 - BGC GAL NAG GAL SIA n/a n/a
30 4MBY - GAL SIA n/a n/a
31 4MBZ - GAL SIA n/a n/a
32 4FMI - NAG GAL SIA n/a n/a
33 4FMJ - SIA C11 H19 N O9 CC(=O)N[C@....
34 4FMH - GAL SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL NGA GAL SIA; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NGA GAL SIA 1 1
2 BGC GAL SIA NGA GAL SIA 0.895238 1
3 BGC GAL GLA NGA GAL SIA 0.886792 1
4 GAL NGA GAL SIA SIA 0.87156 0.981132
5 GAL SIA NGA GAL SIA 0.826923 1
6 BGC GAL SIA NGA GAL 0.818182 1
7 BGC GAL SIA SIA 0.781818 0.981132
8 GLC GAL NGC 0.769231 0.924528
9 A2G GAL SIA 0.757282 1
10 NAG GAL SIA 0.75 1
11 SIA GAL NGA GAL 0.743119 1
12 GAL SIA NGA GAL SIA SIA 0.735043 0.981132
13 BGC GAL SIA NGA GAL FUC 0.715447 1
14 BGC GAL SIA NAG 0.710526 1
15 NAG GAL SIA SIA 0.690265 0.981132
16 NAG GAL NGC 0.6875 0.962264
17 NGA GAL SIA 0.684685 0.980769
18 GAL SIA NGA GAL 0.681416 0.981132
19 GAL NAG FUC GAL SIA 0.666667 1
20 NAG FUC GAL SIA 0.65812 1
21 NGS GAL SIA 0.655172 0.787879
22 BGC GAL SIA 0.648649 0.943396
23 NDG GAL SIA SIA 0.646552 0.945455
24 MAG FUC GAL SIA 0.644068 0.962264
25 BGC GAL SIA NGA SIA 0.632812 0.981132
26 BGC GAL NAG GAL SIA 0.629032 0.981132
27 NGA POL GAL NGC AZI 0.626016 0.784615
28 GAL SIA NGA 0.619469 1
29 BGC CEQ GAL SLB NGA GAL SIA SIA 0.615942 0.83871
30 Z3Q GAL 5N6 0.609756 0.83871
31 NAG 2FG SIA 0.594828 0.928571
32 2FG SIA 0.59434 0.892857
33 NGS FUC GLA SIA 0.59375 0.787879
34 NAG GAL PKM 0.59322 0.981132
35 GAL 5N6 0.587156 0.962264
36 GAL NAG GAL SIA 0.583333 0.981132
37 GAL SIA SIA 0.578947 0.981132
38 MBG NGC 0.568807 0.907407
39 BGC 16C GAL SIA 0.553191 0.83871
40 NAG GAL NAG GAL SIA 0.546154 0.981132
41 BGC 18C GAL SIA 0.534722 0.83871
42 BGC 18C GAL SIA NGA GAL 0.525641 0.83871
43 BGC GAL NAG GAL 0.518868 0.865385
44 BGC GAL NGA GAL 0.514286 0.865385
45 BGC GAL GLA NGA GAL 0.5 0.865385
46 NAG GAL 5N6 0.492188 0.962963
47 GAL SIA 0.468468 0.924528
48 SIA CMO 0.465347 0.87037
49 CEQ BGC NGA GAL SIA SIA 0.460526 0.8
50 BGC GAL NAG GAL FUC 0.45 0.884615
51 BGC GAL NAG 0.445455 0.865385
52 GLC GAL NAG GAL FUC GLA 0.432 0.884615
53 BGC GAL GLA NGA 0.426087 0.865385
54 NAG SIA 0.420168 0.910714
55 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.418919 0.945455
56 GLC GAL NAG GAL FUC A2G 0.415385 0.942308
57 C4W NAG FUC BMA MAN NAG GAL SIA 0.415094 0.852459
58 MAN NAG PO4 NGA PO4 0.413793 0.87931
59 MNA 0.413462 0.851852
60 SIA SIA 0.410256 0.962264
61 BGC GAL NGA 0.409091 0.865385
62 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.408284 0.852459
63 SLB SIA SIA SIA SIA 0.40678 0.962264
64 SLB SIA SIA 0.40678 0.962264
65 SIA SIA SIA SIA SIA SIA SIA 0.40678 0.962264
66 SLB SIA SIA SIA 0.40678 0.962264
67 SIA SIA SIA 0.401639 0.962264
68 BGC GAL NAG GAL FUC FUC 0.401575 0.903846
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL NGA 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 : 5CPZ; Ligand: GAL NGA GAL SIA 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: 5cpz.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CPZ; Ligand: GAL NGA GAL SIA 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: 5cpz.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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