Receptor
PDB id Resolution Class Description Source Keywords
4POR 2.09 Å NON-ENZYME: OTHER STRUCTURE OF HUMAN POLYOMAVIRUS 9 VP1 PENTAMER IN COMPLEX WI SIALYLLACTOSE HUMAN POLYOMAVIRUS 9 JELLY ROLL FOLD CAPSID FORMATION RECEPTOR INTERACTION CARBOHYDRATE SIALYLOLIGOSACCHARIDE VIRAL COAT PROTEIN VIPROTEIN
Ref.: CRYSTALLOGRAPHIC AND GLYCAN MICROARRAY ANALYSIS OF POLYOMAVIRUS 9 VP1 IDENTIFIES N-GLYCOLYL NEURAMINIC A RECEPTOR CANDIDATE. J.VIROL. V. 88 6100 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:402;
D:402;
G:403;
F:404;
A:403;
J:402;
D:405;
B:403;
E:403;
A:404;
H:404;
H:402;
E:402;
E:405;
C:405;
G:404;
B:402;
G:405;
I:403;
I:402;
B:404;
F:402;
G:402;
H:405;
I:404;
E:404;
C:403;
H:403;
D:403;
D:404;
C:402;
C:404;
F:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CA E:401;
D:401;
C:401;
F:401;
G:401;
A:401;
J:401;
I:401;
B:401;
H:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
IPA E:406;
A:405;
D:406;
C:406;
F:405;
B:405;
J:403;
I:405;
H:406;
G:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
BGC SIA GAL J:405;
E:408;
A:407;
D:408;
F:407;
I:407;
G:408;
H:408;
B:407;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
632.545 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4POS 2 Å NON-ENZYME: OTHER STRUCTURE OF HUMAN POLYOMAVIRUS 9 VP1 PENTAMER IN COMPLEX WI SIALYLLACTOSAMINE HUMAN POLYOMAVIRUS 9 JELLY ROLL FOLD CAPSID FORMATION RECEPTOR INTERACTION CARBOHYDRATE SIALYLOLIGOSACCHARIDE VIRAL COAT PROTEIN VIPROTEIN
Ref.: CRYSTALLOGRAPHIC AND GLYCAN MICROARRAY ANALYSIS OF POLYOMAVIRUS 9 VP1 IDENTIFIES N-GLYCOLYL NEURAMINIC A RECEPTOR CANDIDATE. J.VIROL. V. 88 6100 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4POR - BGC SIA GAL n/a n/a
2 4POS - NAG SIA GAL n/a n/a
3 4POT - NAG GAL NGC n/a n/a
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 5CPZ - SIA SIA GAL NGA GAL n/a n/a
2 5CPW - SIA SIA GAL NGA GAL n/a n/a
3 5CQ0 - SIA GAL NGA GAL n/a n/a
4 5CPY - SIA GAL NGA GAL n/a n/a
5 1VPS - SIA GAL NAG SIA n/a n/a
6 5CPX - SIA GAL n/a n/a
7 4U60 - SIA GAL BGC NGA GAL n/a n/a
8 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
9 4U61 - GAL SIA n/a n/a
10 4POR - BGC SIA GAL n/a n/a
11 4POS - NAG SIA GAL n/a n/a
12 4POT - NAG GAL NGC n/a n/a
13 4MJ0 - BGC SIA SIA GAL n/a n/a
14 3NXD - BGC GAL NAG SIA GAL n/a n/a
15 4X16 - SIA C11 H19 N O9 CC(=O)N[C@....
16 4X15 - SIA GAL BGC NGA n/a n/a
17 4X10 - SIA GAL BGC NGA n/a n/a
18 4X0Z - SIA GAL BGC NGA GAL n/a n/a
19 4JCF - SIA GAL NAG n/a n/a
20 4X12 - SIA SIA n/a n/a
21 4X14 - SIA GAL BGC NGA GAL n/a n/a
22 4X11 - SIA C11 H19 N O9 CC(=O)N[C@....
23 4X13 - SIA GAL NAG GAL BGC n/a n/a
24 4MBY - SIA GAL n/a n/a
25 4MBZ - SIA GAL n/a n/a
26 4FMI - NAG SIA GAL n/a n/a
27 4FMJ - SIA C11 H19 N O9 CC(=O)N[C@....
28 4FMH - SIA GAL n/a n/a
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 5CPZ - SIA SIA GAL NGA GAL n/a n/a
2 5CPW - SIA SIA GAL NGA GAL n/a n/a
3 5CQ0 - SIA GAL NGA GAL n/a n/a
4 5CPY - SIA GAL NGA GAL n/a n/a
5 1VPS - SIA GAL NAG SIA n/a n/a
6 5CPX - SIA GAL n/a n/a
7 4U60 - SIA GAL BGC NGA GAL n/a n/a
8 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
9 4U61 - GAL SIA n/a n/a
10 3BWR Kd ~ 3 mM GAL NGA SIA GAL BGC n/a n/a
11 4POR - BGC SIA GAL n/a n/a
12 4POS - NAG SIA GAL n/a n/a
13 4POT - NAG GAL NGC n/a n/a
14 4MJ0 - BGC SIA SIA GAL n/a n/a
15 3NXD - BGC GAL NAG SIA GAL n/a n/a
16 4X16 - SIA C11 H19 N O9 CC(=O)N[C@....
17 4X15 - SIA GAL BGC NGA n/a n/a
18 4X10 - SIA GAL BGC NGA n/a n/a
19 4X0Z - SIA GAL BGC NGA GAL n/a n/a
20 4X17 - SIA SIA n/a n/a
21 4JCF - SIA GAL NAG n/a n/a
22 4X12 - SIA SIA n/a n/a
23 4X14 - SIA GAL BGC NGA GAL n/a n/a
24 4X11 - SIA C11 H19 N O9 CC(=O)N[C@....
25 4X13 - SIA GAL NAG GAL BGC n/a n/a
26 4MBY - SIA GAL n/a n/a
27 4MBZ - SIA GAL n/a n/a
28 4FMI - NAG SIA GAL n/a n/a
29 4FMJ - SIA C11 H19 N O9 CC(=O)N[C@....
30 4FMH - SIA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC SIA GAL; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SIA GAL 1 1
2 SIA GAL GLC 1 1
3 GAL BGC SIA 1 1
4 GLA GLC SIA 1 1
5 BGC GAL SIA 1 1
6 SIA BGC GAL 1 1
7 SIA GAL BGC 1 1
8 GAL NGA GAL SIA 0.895833 0.961538
9 SIA GAL NGA GAL 0.895833 0.961538
10 BGC SIA SIA GAL 0.861386 0.943396
11 SIA SIA GLA BGC 0.861386 0.943396
12 MN0 GAL GLC 0.852632 0.960784
13 GAL BGC GAL SIA NGA SIA 0.836538 0.961538
14 BGC GAL SIA SIA GAL NGA 0.836538 0.961538
15 SIA GAL NAG 0.831579 0.961538
16 NAG SIA GAL 0.831579 0.961538
17 SLT 0.829787 0.98
18 SIA SIA GAL NGA GAL 0.781818 0.943396
19 SIA GAL A2G 0.765306 0.961538
20 NGA GAL SIA 0.765306 0.961538
21 GAL NGA GAL BGC SIA 0.761468 0.961538
22 GAL NGA SIA GAL BGC 0.761468 0.961538
23 SIA GAL BGC NGA GAL 0.761468 0.961538
24 BGC GAL SIA NGA GAL 0.761468 0.961538
25 NAG GAL NGC 0.757282 0.961538
26 GAL SIA NGA GAL SIA 0.75 0.961538
27 BGC GAL SIA NGA 0.747664 0.961538
28 GAL BGC SIA NGA 0.747664 0.961538
29 SIA GAL BGC NGA 0.747664 0.961538
30 SIA GAL NGS 0.735849 0.78125
31 BGC GAL SIA NGA GAL SIA 0.725 0.819672
32 SIA GAL 0.717391 1
33 SIA GAL NAG SIA 0.694444 0.943396
34 SIA GLA NAG FUC 0.690909 0.961538
35 SIA GAL NDG FUC 0.690909 0.961538
36 NDG FUC SIA GAL 0.690909 0.961538
37 SIA GAL NAG FUC 0.690909 0.961538
38 FUC NDG GAL SIA 0.690909 0.961538
39 NAG FUC SIA GAL 0.690909 0.961538
40 4U2 0.686275 0.942308
41 SIA GAL NDG SIA 0.678899 0.909091
42 GAL SIA NGA GAL 0.669725 0.961538
43 SIA SIA GAL NGA GAL SIA 0.666667 0.943396
44 SIA GAL SIA GLC NGA 0.661157 0.943396
45 SIA GAL SIA BGC NGA 0.661157 0.943396
46 SIA GAL MAG FUC 0.660714 0.924528
47 SIA GAL NAG GAL GLC 0.65812 0.943396
48 BGC GAL NAG SIA GAL 0.65812 0.943396
49 SIA GAL NAG GAL BGC 0.65812 0.943396
50 SIA 2FG 0.642857 0.925926
51 SIA GAL NGA 0.635514 0.961538
52 4U0 0.635514 0.960784
53 SIA GLA NGS FUC 0.633333 0.78125
54 SIA SIA GAL 0.622642 0.943396
55 5N6 GAL 0.617647 0.961538
56 NGC MBG 0.613861 0.942308
57 SIA 2FG NAG 0.609091 0.892857
58 NGC GAL NGA POL AZI 0.6 0.78125
59 SIA GAL BGC 16C 0.598485 0.806452
60 NAG GAL SIA 0.585586 0.943396
61 Z3Q GAL 5N6 0.583333 0.806452
62 BGC 18C GAL SIA 0.577778 0.806452
63 BGC GAL CEQ SLB NGA GAL SIA SIA 0.569343 0.833333
64 SIA NAG GAL 0.552632 0.909091
65 GAL NAG SIA GAL 0.55 0.943396
66 SIA GAL NAG GAL 0.55 0.943396
67 SIA NAG GAL GAL 0.542373 0.943396
68 GAL SIA 0.539216 0.980392
69 4U1 0.530435 0.924528
70 GAL TNR SIA 0.516667 0.925926
71 SIA CMO 0.505376 0.867925
72 SIA GAL SIA BGC NGA CEQ 0.496504 0.769231
73 BGC 18C GAL NGA SIA GAL 0.483871 0.806452
74 NAG GAL BGC 0.466019 0.9
75 GLC GAL NAG GAL 0.462264 0.9
76 LAT NAG GAL 0.457143 0.9
77 GAL NAG GAL BGC 0.457143 0.9
78 BGC GAL NAG GAL 0.457143 0.9
79 MNA 0.447917 0.849057
80 NGA GLA GAL BGC 0.444444 0.9
81 SLB SIA 0.440367 0.924528
82 GAL NGA GLA BGC GAL 0.440367 0.9
83 SIA SIA 0.440367 0.924528
84 SIA NAG 0.4375 0.875
85 SLB SIA SIA 0.436364 0.924528
86 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.924528
87 SIA SIA SIA SLB 0.436364 0.924528
88 SLB SIA SIA SIA SIA 0.436364 0.924528
89 SIA SIA SIA 0.429825 0.924528
90 NGA GAL BGC 0.413462 0.9
91 SIA WIA 0.412281 0.892857
92 FUC GAL NAG GAL BGC 0.40678 0.882353
93 BGC GAL NAG GAL FUC FUC 0.404959 0.901961
94 GLC GAL NAG GAL FUC FUC 0.404959 0.901961
95 MUS 0.403361 0.793103
96 GLA GAL BGC 0.402062 0.66
97 SLB 0.402062 0.86
98 SIA 0.402062 0.86
99 GLA GAL GAL 0.402062 0.66
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4POS; Ligand: NAG SIA GAL; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 4pos.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Y88 2ER 0.03636 0.40395 0.819672
2 5A3T MMK 0.01625 0.41644 3.59712
3 4D42 W0I 0.03981 0.41363 3.59712
4 4D42 NAP 0.03981 0.41363 3.59712
5 5BUK FAD 0.02438 0.42124 3.95683
6 2QO4 CHD 0.0289 0.4025 3.96825
7 1V35 NAI 0.01858 0.42491 5.03597
8 1N62 MCN 0.02497 0.41346 5.03597
9 4M1U A2G MBG 0.0001467 0.41854 6.11511
10 5A5W GUO 0.008652 0.44041 9.09091
11 2RGJ FAD 0.03574 0.40228 9.35252
12 1LR8 IHS 0.004336 0.4289 9.45946
13 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.004951 0.4321 10.3896
14 5M8T 0TR 0.01541 0.40235 10.7914
Pocket No.: 2; Query (leader) PDB : 4POS; Ligand: NAG SIA GAL; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 4pos.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XRO LEU 0.02713 0.40955 2.51799
2 1YQS BSA 0.03305 0.40405 2.51799
3 3IES M24 0.04085 0.4003 2.51799
4 4R81 FMN 0.01481 0.40538 3.8835
5 1R27 MGD 0.03176 0.40801 3.95683
6 1MJJ HAL 0.02387 0.40142 6.1674
7 2ZB4 NAP 0.04455 0.40125 7.55396
8 2ZB4 5OP 0.04636 0.40125 7.55396
9 2X32 OTP 0.04762 0.40646 7.82123
Pocket No.: 3; Query (leader) PDB : 4POS; Ligand: NAG SIA GAL; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 4pos.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JFS 6K0 0.04369 0.40262 2.15827
2 2TPS TPS 0.01772 0.40931 2.20264
3 3KLJ FAD 0.03922 0.40019 3.59712
4 2IV2 MGD 0.04065 0.4024 5.39568
5 4GCZ FMN 0.01084 0.41017 7.91367
Pocket No.: 4; Query (leader) PDB : 4POS; Ligand: NAG SIA GAL; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 4pos.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AHC TPP 0.03181 0.40156 6.47482
2 4FE2 ASP 0.02206 0.40055 6.66667
Pocket No.: 5; Query (leader) PDB : 4POS; Ligand: NAG SIA GAL; Similar sites found: 4
This union binding pocket(no: 5) in the query (biounit: 4pos.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q0L V14 0.02642 0.4006 3.04183
2 1OFD AKG 0.03053 0.40583 6.83453
3 4HP0 NOJ NAG NAG NAG 0.02559 0.40264 8.52713
4 1V8B NAD 0.04296 0.40114 10.7914
Feedback