Receptor
PDB id Resolution Class Description Source Keywords
6QU6 1.03 Å NON-ENZYME: OTHER ADENOVIRUS SEROTYPE 26 (AD26) IN COMPLEX WITH SIALIC ACID, P HUMAN ADENOVIRUS 26 ADENOVIRUS ADENOVIRUS 26 AD26 HADV-D26 AD26K HADV-D26KADENOVIRUS HUMAN ADENOVIRUS 26 MASTADENOVIRUS SIALIC ACISIA N-ACETYLNEURAMINIC ACID NEURAMINIC ACID SPECIES D ASPECIES D ADD HADV-D PROTEIN IV PIV FIBER-KNOB FIBERDOMAIN KNOB DOMAIN FIBER PROTEIN FIBRE PROTEIN FIBRE-KNHEAD VIRAL PROTEIN
Ref.: HUMAN ADENOVIRUS TYPE 26 USES SIALIC ACID-BEARING G A PRIMARY CELL ENTRY RECEPTOR. SCI ADV V. 5 X3567 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:406;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
SO4 A:403;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
EDO A:405;
A:404;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
SLB A:402;
 Valid;
 none;
 submit data
309.27 C11 H19 N O9 CC(=O...
SIA A:401;
 Valid;
 none;
 submit data
309.27 C11 H19 N O9 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QU6 1.03 Å NON-ENZYME: OTHER ADENOVIRUS SEROTYPE 26 (AD26) IN COMPLEX WITH SIALIC ACID, P HUMAN ADENOVIRUS 26 ADENOVIRUS ADENOVIRUS 26 AD26 HADV-D26 AD26K HADV-D26KADENOVIRUS HUMAN ADENOVIRUS 26 MASTADENOVIRUS SIALIC ACISIA N-ACETYLNEURAMINIC ACID NEURAMINIC ACID SPECIES D ASPECIES D ADD HADV-D PROTEIN IV PIV FIBER-KNOB FIBERDOMAIN KNOB DOMAIN FIBER PROTEIN FIBRE PROTEIN FIBRE-KNHEAD VIRAL PROTEIN
Ref.: HUMAN ADENOVIRUS TYPE 26 USES SIALIC ACID-BEARING G A PRIMARY CELL ENTRY RECEPTOR. SCI ADV V. 5 X3567 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6QU8 - SLB C11 H19 N O9 CC(=O)N[C@....
2 6QU6 - SLB C11 H19 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 6QU8 - SLB C11 H19 N O9 CC(=O)N[C@....
2 6QU6 - SLB C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 2WGU - 42D C11 H19 N O10 COC(=O)N[C....
2 4XQA Kd = 10.3 uM 423 C48 H75 N13 O27 CC(=O)N[C@....
3 4XQB Kd = 163.4 uM 425 C51 H81 N13 O27 CC(=O)N[C@....
4 3N0I Kd = 19 uM BGC GAL SIA NGA GAL SIA n/a n/a
5 1UXA Kd = 5 mM GAL SIA n/a n/a
6 3QND - SIA C11 H19 N O9 CC(=O)N[C@....
7 2WGT - 18D C12 H21 N O9 CCC(=O)N[C....
8 1UXB Kd = 7 mM GAL SIA n/a n/a
9 6QU8 - SLB C11 H19 N O9 CC(=O)N[C@....
10 6QU6 - SLB C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SLB; 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; 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
Similar Ligands (3D)
Ligand no: 1; Ligand: SLB; Similar ligands found: 25
No: Ligand Similarity coefficient
1 49A 0.9691
2 DF4 0.9637
3 9AM 0.9632
4 G28 0.9440
5 GC9 0.9229
6 G39 0.9133
7 0HX 0.8987
8 9GW 0.8953
9 ST5 0.8932
10 2H8 0.8925
11 9GT 0.8899
12 9GQ 0.8829
13 R2D 0.8749
14 ST4 0.8724
15 ZMR 0.8720
16 5M8 0.8713
17 RP6 0.8712
18 EEW 0.8699
19 9GN 0.8696
20 53Q 0.8637
21 KFN 0.8620
22 NG1 0.8607
23 GYG 0.8570
24 LNV 0.8560
25 FIR 0.8532
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6QU6; Ligand: SLB; 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: 6qu6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6QU6; Ligand: SLB; 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: 6qu6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6QU6; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6qu6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6QU6; 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: 4) in the query (biounit: 6qu6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6QU6; 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: 5) in the query (biounit: 6qu6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6QU6; 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: 6) in the query (biounit: 6qu6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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