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 D:1;
 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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: SIA; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 42D 0.758621 0.875
4 18D 0.758621 0.955556
5 NGE 0.754386 0.933333
6 NGC 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
9 SIA CMO 0.59375 0.877551
10 CNP 0.58209 0.875
11 KDM 0.568965 0.72093
12 KDN 0.568965 0.72093
13 SIA SIA 0.565789 0.826923
14 SLB SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA SIA 0.558442 0.826923
16 SLB SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.4625 0.86
25 SID 0.459459 0.82
26 SIA SIA SIA 0.453488 0.826923
27 MUS 0.449438 0.796296
28 NXD 0.447368 0.792453
29 WIA SIA 0.447059 0.767857
30 2FG SIA 0.447059 0.796296
31 KDO 0.435484 0.704545
32 NAG SIA 0.430233 0.781818
33 BND 0.416667 0.807692
34 SKD 0.414286 0.875
35 GAL SIA SIA 0.410526 0.811321
36 E3M 0.402778 0.606061
37 4AM 0.4 0.833333
38 DAN 0.4 0.911111
Ligand no: 2; Ligand: SIA SIA; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA SIA 1 1
2 SLB SIA SIA 0.985915 1
3 SLB SIA SIA SIA SIA 0.985915 1
4 SIA SIA SIA SIA SIA SIA SIA 0.985915 1
5 SLB SIA SIA SIA 0.985915 1
6 SIA SIA SIA 0.717647 1
7 GAL SIA SIA 0.648936 0.981132
8 SIA CMO 0.64 0.87037
9 SIA 0.565789 0.826923
10 SLB 0.565789 0.826923
11 BGC GAL SIA SIA 0.554545 0.981132
12 MNA 0.544304 0.851852
13 GAL SIA NGA GAL SIA SIA 0.521368 0.981132
14 GAL NGA GAL SIA SIA 0.516949 0.981132
15 GAL SIA 0.516484 0.888889
16 2FG SIA 0.5 0.859649
17 BGC GAL SIA NGA SIA 0.495935 0.981132
18 NAG SIA 0.484536 0.910714
19 42D 0.464286 0.8
20 18D 0.464286 0.796296
21 CNP 0.45977 0.767857
22 MUS 0.456311 0.79661
23 GAL SIA NGA 0.449541 0.962264
24 CEQ BGC NGA GAL SIA SIA 0.448529 0.8
25 NGA GAL SIA 0.446429 0.980769
26 BGC CEQ GAL SLB NGA GAL SIA SIA 0.445255 0.83871
27 A2G GAL SIA 0.444444 0.962264
28 NGC 0.440476 0.811321
29 NGE 0.440476 0.811321
30 NAG GAL SIA 0.440367 0.962264
31 MN0 0.436782 0.818182
32 BGC GAL SIA 0.436364 0.907407
33 NAG 2FG SIA 0.428571 0.894737
34 GAL 5N6 0.423077 0.925926
35 SIA GAL NGA GAL 0.422414 0.962264
36 GAL SIA NGA GAL SIA 0.422414 0.962264
37 MAG FUC GAL SIA 0.420168 0.962264
38 NAG FUC GAL SIA 0.420168 0.962264
39 SID 0.417582 0.785714
40 MBG NGC 0.417476 0.907407
41 NGS GAL SIA 0.415254 0.761194
42 WIA SIA 0.411765 0.862069
43 GAL NAG GAL SIA 0.410256 0.944444
44 GAL SIA NGA GAL 0.410256 0.944444
45 GAL NGA GAL SIA 0.410256 0.962264
46 NXD 0.408602 0.793103
47 NDG GAL SIA SIA 0.40678 0.910714
48 NAG GAL SIA SIA 0.40678 0.944444
49 C5P SIA 0.406504 0.666667
50 425 0.405405 0.662338
51 NAG GAL NGC 0.401709 0.925926
52 GAL NAG FUC GAL SIA 0.4 0.962264
53 79J 0.4 0.849057
Similar Ligands (3D)
Ligand no: 1; Ligand: SIA; Similar ligands found: 27
No: Ligand Similarity coefficient
1 49A 0.9738
2 9AM 0.9671
3 DF4 0.9637
4 G28 0.9369
5 GC9 0.9014
6 G39 0.8962
7 9GW 0.8947
8 0HX 0.8920
9 ST5 0.8919
10 9GT 0.8895
11 K99 0.8872
12 ZMR 0.8860
13 2H8 0.8805
14 ST4 0.8777
15 R2D 0.8751
16 5M8 0.8749
17 9GN 0.8727
18 9GQ 0.8684
19 NG1 0.8662
20 KFN 0.8658
21 9GZ 0.8646
22 ST6 0.8636
23 LNV 0.8630
24 FID 0.8627
25 HBQ 0.8617
26 GYG 0.8600
27 RP6 0.8554
Ligand no: 2; Ligand: SIA SIA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 SLB SIA 0.8744
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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