Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 D:410;
B:401;
A:411;
E:410;
E:409;
D:409;
E:401;
B:408;
D:403;
B:409;
C:401;
C:409;
A:401;
C:410;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL C:402;
A:413;
A:414;
A:402;
D:411;
C:403;
B:402;
E:403;
A:412;
D:412;
E:402;
A:404;
C:412;
D:401;
C:411;
D:402;
A:405;
B:410;
A:403;
B:411;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GAL NGA GAL SIA SIA F:1;
J:1;
I:1;
H:1;
G:1;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
1125.99 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 SIA; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NGA GAL SIA SIA 1 1
2 BGC GAL SIA SIA 0.909091 1
3 GAL NGA GAL SIA 0.87156 0.981132
4 GAL SIA NGA GAL SIA SIA 0.854701 1
5 BGC GAL SIA NGA GAL SIA 0.789916 0.981132
6 BGC GAL GLA NGA GAL SIA 0.783333 0.981132
7 GAL SIA NGA GAL SIA 0.74359 0.981132
8 BGC GAL SIA NGA SIA 0.742188 1
9 BGC GAL SIA NGA GAL 0.725806 0.981132
10 BGC CEQ GAL SLB NGA GAL SIA SIA 0.717391 0.854839
11 GAL SIA SIA 0.701754 1
12 GLC GAL NGC 0.677966 0.907407
13 SIA GAL NGA GAL 0.672131 0.981132
14 A2G GAL SIA 0.666667 0.981132
15 BGC GAL SIA NGA GAL FUC 0.666667 0.981132
16 NAG GAL SIA 0.661017 0.981132
17 BGC GAL SIA NAG 0.632812 0.981132
18 GAL NAG FUC GAL SIA 0.621212 0.981132
19 NGA GAL SIA 0.620968 0.962264
20 NAG GAL SIA SIA 0.614173 0.962963
21 NAG FUC GAL SIA 0.612403 0.981132
22 NAG GAL NGC 0.611111 0.944444
23 GAL SIA NGA GAL 0.606299 0.962963
24 MAG FUC GAL SIA 0.6 0.944444
25 NGS GAL SIA 0.596899 0.776119
26 NDG GAL SIA SIA 0.576923 0.928571
27 BGC GAL SIA 0.576 0.925926
28 NGS FUC GLA SIA 0.568345 0.776119
29 BGC GAL NAG GAL SIA 0.565217 0.962963
30 GAL SIA NGA 0.563492 0.981132
31 NGA POL GAL NGC AZI 0.562044 0.772727
32 Z3Q GAL 5N6 0.558824 0.825397
33 CEQ BGC NGA GAL SIA SIA 0.552632 0.815385
34 NAG 2FG SIA 0.530769 0.912281
35 NAG GAL PKM 0.530303 0.962963
36 SLB SIA SIA SIA SIA 0.525424 0.981132
37 SLB SIA SIA SIA 0.525424 0.981132
38 SLB SIA SIA 0.525424 0.981132
39 SIA SIA SIA SIA SIA SIA SIA 0.525424 0.981132
40 2FG SIA 0.525 0.877193
41 BGC 16C GAL SIA 0.522876 0.854839
42 GAL NAG GAL SIA 0.522388 0.962963
43 GAL 5N6 0.520325 0.944444
44 SIA SIA 0.516949 0.981132
45 SIA SIA SIA 0.516393 0.981132
46 BGC 18C GAL SIA 0.50641 0.854839
47 MBG NGC 0.504065 0.890909
48 BGC 18C GAL SIA NGA GAL 0.5 0.854839
49 NAG GAL NAG GAL SIA 0.493056 0.962963
50 BGC GAL NAG GAL 0.458333 0.849057
51 BGC GAL NGA GAL 0.453782 0.849057
52 NAG GAL 5N6 0.443662 0.945455
53 BGC GAL GLA NGA GAL 0.443548 0.849057
54 BGC GAL NAG GAL FUC 0.424242 0.867925
55 GAL SIA 0.416 0.907407
56 GLC GAL NAG GAL FUC GLA 0.408759 0.867925
57 SIA CMO 0.408696 0.854545
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL NGA GAL SIA 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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