Receptor
PDB id Resolution Class Description Source Keywords
6G47 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ADENOVIRUS 52 SHORT FIBER KNOB IN WITH ALPHA-(2,8)-TRISIALIC ACID (DP3) HUMAN ADENOVIRUS 52 POLYSIALIC ACID ADENOVIRUS VIROLECTIN FIBER KNOB CELL ATVIRAL ENTRY CARBOHYDRATE CELL ADHESION
Ref.: POLYSIALIC ACID IS A CELLULAR RECEPTOR FOR HUMAN AD 52. PROC. NATL. ACAD. SCI. V. 115 E4264 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPD C:404;
A:402;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
MRD B:401;
B:402;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
TRS C:403;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
SIA A:401;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
SIA SIA C:401;
Valid;
none;
submit data
598.511 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6G47 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ADENOVIRUS 52 SHORT FIBER KNOB IN WITH ALPHA-(2,8)-TRISIALIC ACID (DP3) HUMAN ADENOVIRUS 52 POLYSIALIC ACID ADENOVIRUS VIROLECTIN FIBER KNOB CELL ATVIRAL ENTRY CARBOHYDRATE CELL ADHESION
Ref.: POLYSIALIC ACID IS A CELLULAR RECEPTOR FOR HUMAN AD 52. PROC. NATL. ACAD. SCI. V. 115 E4264 2018 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 6G47 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4XL8 - MNA C12 H21 N O9 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 6G47 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4XL8 - MNA C12 H21 N O9 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 6G47 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4XL8 - MNA C12 H21 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 SLB 1 1
2 SIA 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 NGE 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 FSI 0.515152 0.895833
17 6KL 0.5 0.807692
18 SFJ 0.5 0.875
19 MN0 0.485714 0.895833
20 AXP 0.470588 0.788462
21 EQP 0.470588 0.788462
22 GAL SIA 0.463415 0.86
23 SIA GAL 0.463415 0.86
24 SID 0.459459 0.82
25 SIA SIA SIA 0.453488 0.826923
26 MUS 0.449438 0.796296
27 NXD 0.447368 0.792453
28 SIA WIA 0.447059 0.767857
29 SIA 2FG 0.447059 0.796296
30 SLT 0.44086 0.877551
31 KDO 0.435484 0.704545
32 SIA NAG 0.430233 0.781818
33 4U0 0.427083 0.86
34 4U2 0.425532 0.843137
35 BND 0.416667 0.807692
36 SKD 0.414286 0.875
37 SIA SIA GAL 0.410526 0.811321
38 4U1 0.408163 0.826923
39 E3M 0.402778 0.606061
40 BGC GAL SIA 0.402062 0.86
41 GAL BGC SIA 0.402062 0.86
42 BGC SIA GAL 0.402062 0.86
43 GLA GLC SIA 0.402062 0.86
44 SIA GAL BGC 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 DAN 0.4 0.911111
47 4AM 0.4 0.833333
Ligand no: 2; Ligand: SIA SIA; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA SIA 1 1
2 SLB SIA 1 1
3 SLB SIA SIA 0.985915 1
4 SIA SIA SIA SIA SIA SIA SIA 0.985915 1
5 SIA SIA SIA 0.717647 1
6 SIA SIA GAL 0.648936 0.981132
7 SIA 0.565789 0.826923
8 SLB 0.565789 0.826923
9 SIA SIA GLA BGC 0.554545 0.981132
10 BGC SIA SIA GAL 0.554545 0.981132
11 MNA 0.544304 0.851852
12 SIA SIA GAL NGA GAL SIA 0.521368 0.981132
13 SIA SIA GAL NGA GAL 0.516949 0.981132
14 GAL SIA 0.516129 0.924528
15 SIA GAL 0.516129 0.924528
16 SIA 2FG 0.5 0.859649
17 SIA GAL SIA GLC NGA 0.495935 0.981132
18 SIA GAL SIA BGC NGA 0.495935 0.981132
19 SIA NAG 0.484536 0.910714
20 42D 0.464286 0.8
21 18D 0.464286 0.796296
22 CNP 0.45977 0.767857
23 MUS 0.456311 0.79661
24 SIA GAL NGA 0.449541 0.962264
25 SIA GAL SIA BGC NGA CEQ 0.448529 0.8
26 BGC GAL CEQ SLB NGA GAL SIA SIA 0.445255 0.83871
27 NGA GAL SIA 0.444444 0.962264
28 SIA GAL A2G 0.444444 0.962264
29 NGC 0.440476 0.811321
30 NGE 0.440476 0.811321
31 BGC GAL SIA 0.440367 0.924528
32 GLA GLC SIA 0.440367 0.924528
33 SIA GAL BGC 0.440367 0.924528
34 NAG SIA GAL 0.440367 0.962264
35 BGC SIA GAL 0.440367 0.924528
36 SIA GAL GLC 0.440367 0.924528
37 GAL BGC SIA 0.440367 0.924528
38 MN0 0.436782 0.818182
39 NAG GAL SIA 0.432432 0.944444
40 SIA GAL NAG 0.432432 0.944444
41 SIA NAG GAL 0.428571 0.910714
42 SIA 2FG NAG 0.428571 0.894737
43 GAL SIA NGA GAL SIA 0.422414 0.962264
44 SIA GAL NGA GAL 0.422414 0.962264
45 GAL SIA NGA GAL 0.422414 0.962264
46 SIA GLA NAG FUC 0.420168 0.962264
47 SIA GAL NAG FUC 0.420168 0.962264
48 NDG FUC SIA GAL 0.420168 0.962264
49 FUC NDG GAL SIA 0.420168 0.962264
50 SIA GAL MAG FUC 0.420168 0.962264
51 SIA GAL NDG FUC 0.420168 0.962264
52 NAG FUC SIA GAL 0.420168 0.962264
53 GAL TNR SIA 0.418803 0.910714
54 SID 0.417582 0.785714
55 NGC MBG 0.417476 0.907407
56 SIA GAL NAG GAL 0.417391 0.944444
57 SIA GAL NGS 0.415254 0.761194
58 SIA WIA 0.411765 0.862069
59 SIA NAG GAL GAL 0.410256 0.944444
60 GAL NGA GAL SIA 0.410256 0.944444
61 NXD 0.408602 0.793103
62 SIA GAL NDG SIA 0.40678 0.910714
63 SIA GAL NAG SIA 0.40678 0.944444
64 C5P SIA 0.406504 0.666667
65 425 0.405405 0.662338
66 NAG GAL NGC 0.401709 0.925926
67 NAG GAL FUC GAL SIA 0.4 0.962264
68 79J 0.4 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6G47; Ligand: 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: 6g47.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6G47; Ligand: 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: 6g47.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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