Receptor
PDB id Resolution Class Description Source Keywords
2HRL 1.85 Å NON-ENZYME: SIGNAL_HORMONE SIGLEC-7 IN COMPLEX WITH GT1B HOMO SAPIENS IG-LIKE DOMAIN SIGLEC GANGLIOSIDE SIGLEC-7 CELL ADHESION
Ref.: SIGLEC-7 UNDERGOES A MAJOR CONFORMATIONAL CHANGE WH COMPLEXED WITH THE {ALPHA}(2,8)-DISIALYLGANGLIOSIDE J.BIOL.CHEM. V. 281 32774 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CEQ BGC NGA GAL SIA SIA A:206;
Valid;
none;
submit data
1210.22 n/a [Si](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HRL 1.85 Å NON-ENZYME: SIGNAL_HORMONE SIGLEC-7 IN COMPLEX WITH GT1B HOMO SAPIENS IG-LIKE DOMAIN SIGLEC GANGLIOSIDE SIGLEC-7 CELL ADHESION
Ref.: SIGLEC-7 UNDERGOES A MAJOR CONFORMATIONAL CHANGE WH COMPLEXED WITH THE {ALPHA}(2,8)-DISIALYLGANGLIOSIDE J.BIOL.CHEM. V. 281 32774 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - CEQ BGC NGA GAL SIA SIA n/a n/a
4 2DF3 - NAG GAL SIA SIA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - CEQ BGC NGA GAL SIA SIA n/a n/a
4 2DF3 - NAG GAL SIA SIA n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - CEQ BGC NGA GAL SIA SIA n/a n/a
4 2DF3 - NAG GAL SIA SIA n/a n/a
5 6D4A Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
6 6D49 Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CEQ BGC NGA GAL SIA SIA; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 CEQ BGC NGA GAL SIA SIA 1 1
2 BGC CEQ GAL SLB NGA GAL SIA SIA 0.783217 0.953846
3 BGC GAL SIA NGA SIA 0.639456 0.815385
4 BGC GAL SIA SIA 0.594406 0.815385
5 GAL SIA NGA GAL SIA SIA 0.577181 0.815385
6 GAL NGA GAL SIA SIA 0.552632 0.815385
7 BGC GAL SIA NAG 0.544218 0.8
8 GAL SIA SIA 0.536232 0.815385
9 BGC GAL SIA NGA GAL 0.526316 0.8
10 BGC GAL SIA NGA GAL SIA 0.519737 0.8
11 BGC GAL SIA NGA GAL FUC 0.509317 0.8
12 GAL SIA NGA 0.493056 0.8
13 BGC 18C GAL SIA NGA GAL 0.491713 0.867647
14 GAL SIA NGA GAL SIA 0.489933 0.8
15 NAG GAL SIA 0.486111 0.8
16 SIA GAL NGA GAL 0.48 0.8
17 BGC GAL GLA NGA GAL SIA 0.477707 0.8
18 BGC 16C GAL SIA 0.476471 0.867647
19 BGC 18C GAL SIA 0.47093 0.867647
20 MAG FUC GAL SIA 0.467532 0.8
21 GAL NGA GAL SIA 0.460526 0.8
22 SIA SIA SIA 0.460432 0.8
23 GAL NAG FUC GAL SIA 0.459119 0.8
24 NAG FUC GAL SIA 0.458065 0.8
25 SIA SIA SIA SIA SIA SIA SIA 0.455882 0.8
26 SLB SIA SIA SIA SIA 0.455882 0.8
27 SLB SIA SIA 0.455882 0.8
28 SLB SIA SIA SIA 0.455882 0.8
29 NGS GAL SIA 0.454545 0.679487
30 NAG GAL NGC 0.453947 0.8
31 A2G GAL SIA 0.44898 0.8
32 SIA SIA 0.448529 0.8
33 NDG GAL SIA SIA 0.448052 0.846154
34 NGA GAL SIA 0.440789 0.784615
35 GLC GAL NGC 0.430464 0.769231
36 NGS FUC GLA SIA 0.430303 0.679487
37 BGC GAL SIA 0.423841 0.784615
38 GAL SIA NGA GAL 0.423077 0.815385
39 NAG GAL SIA SIA 0.420382 0.815385
40 Z3Q GAL 5N6 0.419753 0.763889
41 2FG SIA 0.415493 0.724638
42 NGA POL GAL NGC AZI 0.414634 0.697368
43 BGC GAL NAG GAL SIA 0.409639 0.815385
44 NAG 2FG SIA 0.409091 0.753623
Similar Ligands (3D)
Ligand no: 1; Ligand: CEQ BGC NGA GAL SIA SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HRL; Ligand: CEQ BGC NGA GAL 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: 2hrl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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