Receptor
PDB id Resolution Class Description Source Keywords
4XL8 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ADENOVIRUS 52 SHORT FIBER KNOB IN WITH 2-O-METHYL-5-N-ACETYLNEURAMINIC ACID HUMAN ADENOVIRUS 52 VIRAL PROTEIN SIALIC ACID VIRAL ATTACHMENT FIBER KNOB PRCARBOHYDRATE INTERACTION
Ref.: HUMAN ADENOVIRUS 52 USES SIALIC ACID-CONTAINING GLYCOPROTEINS AND THE COXSACKIE AND ADENOVIRUS RECE BINDING TO TARGET CELLS. PLOS PATHOG. V. 11 04657 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPD C:402;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
MNA A:401;
C:401;
Valid;
Valid;
none;
none;
submit data
323.296 C12 H21 N O9 CC(=O...
MRD C:403;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
GOL A:402;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TAM B:401;
Invalid;
none;
submit data
163.215 C7 H17 N O3 C(CO)...
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: MNA; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 MNA 1 1
2 MN0 0.783333 0.959184
3 SIA CMO 0.75 0.979592
4 SID 0.734375 0.92
5 NXD 0.712121 0.886792
6 6KL 0.666667 0.903846
7 BND 0.648649 0.903846
8 SLB 0.629032 0.895833
9 SIA 0.629032 0.895833
10 CNP 0.57971 0.792453
11 GAL SIA 0.558442 0.849057
12 NAG SIA 0.555556 0.807018
13 SIA SIA 0.544304 0.851852
14 SIA SIA SIA 0.542169 0.851852
15 SLB SIA SIA SIA 0.5375 0.851852
16 SLB SIA SIA SIA SIA 0.5375 0.851852
17 SIA SIA SIA SIA SIA SIA SIA 0.5375 0.851852
18 SLB SIA SIA 0.5375 0.851852
19 2FG SIA 0.536585 0.789474
20 MUS 0.534884 0.789474
21 42D 0.521739 0.9
22 PH5 0.493976 0.818182
23 79J 0.479452 0.918367
24 18D 0.478873 0.86
25 SFJ 0.478261 0.792453
26 NGC 0.471429 0.877551
27 NGE 0.471429 0.877551
28 FSI 0.471429 0.811321
29 SIO 0.467532 0.959184
30 GAL SIA SIA 0.457447 0.836364
31 A2G GAL SIA 0.452632 0.851852
32 AXP 0.450704 0.719298
33 EQP 0.450704 0.719298
34 NAG 2FG SIA 0.44898 0.793103
35 WIA SIA 0.448276 0.824561
36 NAG GAL SIA 0.447917 0.851852
37 BGC GAL SIA 0.443299 0.833333
38 GAL SIA NGA 0.443299 0.851852
39 GAL NAG GAL SIA 0.441176 0.836364
40 MBG NGC 0.438202 0.867925
41 GAL 5N6 0.428571 0.886792
42 GAL SIA NGA GAL 0.427184 0.836364
43 SIA GAL NGA GAL 0.427184 0.851852
44 NGA GAL SIA 0.425743 0.867925
45 GAL NGA GAL SIA 0.413462 0.851852
46 GAL SIA NGA GAL SIA 0.413462 0.851852
47 MAG FUC GAL SIA 0.411215 0.886792
48 NDG GAL SIA SIA 0.409524 0.807018
49 NAG GAL SIA SIA 0.409524 0.836364
50 NGS GAL SIA 0.40566 0.676471
51 NAG GAL NGC 0.403846 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: MNA; Similar ligands found: 8
No: Ligand Similarity coefficient
1 DAN 0.9230
2 DF4 0.8969
3 4AM 0.8789
4 49A 0.8728
5 9AM 0.8727
6 KDM 0.8700
7 E3M 0.8696
8 K99 0.8540
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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