Receptor
PDB id Resolution Class Description Source Keywords
5IUC 1.25 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE GSPB SIGLEC DOMAIN WITH SIALYL T AN BOUND STREPTOCOCCUS GORDONII BACTERIAL ADHESIN LECTIN IMMUNOGLOBULIN FOLD SERINE-RICH SUGAR BINDING PROTEIN
Ref.: A STRUCTURAL MODEL FOR BINDING OF THE SERINE-RICH R ADHESIN GSPB TO HOST CARBOHYDRATE RECEPTORS. PLOS PATHOG. V. 7 02112 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:601;
A:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
A2G GAL SIA C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
673.598 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IUC 1.25 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE GSPB SIGLEC DOMAIN WITH SIALYL T AN BOUND STREPTOCOCCUS GORDONII BACTERIAL ADHESIN LECTIN IMMUNOGLOBULIN FOLD SERINE-RICH SUGAR BINDING PROTEIN
Ref.: A STRUCTURAL MODEL FOR BINDING OF THE SERINE-RICH R ADHESIN GSPB TO HOST CARBOHYDRATE RECEPTORS. PLOS PATHOG. V. 7 02112 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5IUC - A2G GAL SIA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5IUC - A2G GAL SIA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5IUC - A2G GAL SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A2G GAL SIA; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G GAL SIA 1 1
2 NAG GAL SIA SIA 0.838384 0.981132
3 NGA GAL SIA 0.816327 0.980769
4 NAG GAL SIA 0.783505 1
5 NAG 2FG SIA 0.777778 0.928571
6 GAL SIA NGA GAL SIA 0.757282 1
7 GAL NGA GAL SIA 0.757282 1
8 NAG FUC GAL SIA 0.745283 1
9 NAG GAL NGC 0.714286 0.962264
10 NGS GAL SIA 0.71028 0.787879
11 BGC GAL SIA NGA GAL SIA 0.696429 1
12 BGC GAL GLA NGA GAL SIA 0.690265 1
13 NDG GAL SIA SIA 0.685185 0.945455
14 NGS FUC GLA SIA 0.681035 0.787879
15 GAL SIA NGA GAL SIA SIA 0.672414 0.981132
16 BGC GAL SIA SIA 0.669643 0.981132
17 2FG SIA 0.666667 0.892857
18 GAL NGA GAL SIA SIA 0.666667 0.981132
19 MAG FUC GAL SIA 0.666667 0.962264
20 GAL NAG FUC GAL SIA 0.66087 1
21 SIA GAL NGA GAL 0.66055 1
22 GLC GAL NGC 0.650943 0.924528
23 NGA POL GAL NGC AZI 0.646552 0.784615
24 GAL SIA NGA GAL 0.645455 0.981132
25 GAL 5N6 0.64 0.962264
26 BGC GAL SIA NGA GAL 0.632479 1
27 GAL SIA SIA 0.628571 0.981132
28 MBG NGC 0.62 0.907407
29 Z3Q GAL 5N6 0.615385 0.83871
30 NAG GAL PKM 0.612613 0.981132
31 GAL SIA NGA 0.59633 1
32 BGC GAL SIA NAG 0.576271 1
33 GAL NAG GAL SIA 0.560345 0.981132
34 BGC GAL SIA NGA GAL FUC 0.553846 1
35 BGC CEQ GAL SLB NGA GAL SIA SIA 0.550725 0.83871
36 BGC 16C GAL SIA 0.532847 0.83871
37 BGC GAL SIA 0.526316 0.943396
38 BGC 18C GAL SIA 0.52518 0.83871
39 NAG GAL NAG GAL SIA 0.52381 0.981132
40 BGC GAL SIA NGA SIA 0.515152 0.981132
41 SIA CMO 0.51087 0.87037
42 BGC GAL NAG GAL SIA 0.507812 0.981132
43 GAL SIA 0.495146 0.924528
44 NAG GAL 5N6 0.479675 0.962963
45 A2G GAL 0.478261 0.865385
46 NAG GC4 0.46 0.903846
47 BGC 18C GAL SIA NGA GAL 0.458599 0.83871
48 MNA 0.452632 0.851852
49 CEQ BGC NGA GAL SIA SIA 0.44898 0.8
50 NAG BDP 0.44898 0.903846
51 SIA SIA 0.444444 0.962264
52 NAG SIA 0.441441 0.910714
53 SLB SIA SIA 0.440367 0.962264
54 SLB SIA SIA SIA 0.440367 0.962264
55 SLB SIA SIA SIA SIA 0.440367 0.962264
56 SIA SIA SIA SIA SIA SIA SIA 0.440367 0.962264
57 NAG FUC 0.4375 0.865385
58 SIA SIA SIA 0.433628 0.962264
59 A2G NAG 0.418367 0.923077
60 WIA SIA 0.415929 0.894737
61 NAG BDP NAG BDP NAG BDP NAG 0.4 0.961538
Similar Ligands (3D)
Ligand no: 1; Ligand: A2G GAL SIA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC GAL SIA 0.8614
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IUC; Ligand: A2G GAL 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: 5iuc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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