Receptor
PDB id Resolution Class Description Source Keywords
1FV2 2.5 Å EC: 3.4.24.68 THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE GANGLIOSIDE RECEPTOR GT1B CLOSTRIDIUM TETANI TOXIN CARBOHYDRATE GANGLIOSIDE MULTI-VALENT BINDING RECE
Ref.: THE CRYSTAL STRUCTURE OF TETANUS TOXIN HC FRAGMENT WITH A SYNTHETIC GT1B ANALOGUE SUGGESTS CROSS-LINKI BETWEEN GANGLIOSIDE RECEPTORS AND THE TOXIN. J.BIOL.CHEM. V. 276 32274 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:201;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
BGC CEQ GAL SLB NGA GAL SIA SIA B:1;
Valid;
none;
submit data
1678.61 n/a [Si](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DLL 1.8 Å EC: 3.4.24.68 THE HC FRAGEMENT OF TETANUS TOXIN COMPLEXED WITH LACTOSE CLOSTRIDIUM TETANI BETA TREFOIL JELLY ROLL TOXIN
Ref.: THE STRUCTURES OF THE H(C) FRAGMENT OF TETANUS TOXI CARBOHYDRATE SUBUNIT COMPLEXES PROVIDE INSIGHT INTO GANGLIOSIDE BINDING. J.BIOL.CHEM. V. 275 8889 2000
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FV3 - BGC CEQ GAL SLB NGA GAL SIA SIA n/a n/a
2 1YYN - BGC GLA SIA SIA n/a n/a
3 1DLL - BGC GAL n/a n/a
4 1D0H - A2G C8 H15 N O6 CC(=O)N[C@....
5 1FV2 - BGC CEQ GAL SLB NGA GAL SIA SIA n/a n/a
6 3HMY - SIA SIA SIA n/a n/a
7 1YXW - TYR GLU TRP n/a n/a
8 3HN1 - SIA SIA n/a n/a
9 1DIW - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FV3 - BGC CEQ GAL SLB NGA GAL SIA SIA n/a n/a
2 1YYN - BGC GLA SIA SIA n/a n/a
3 1DLL - BGC GAL n/a n/a
4 1D0H - A2G C8 H15 N O6 CC(=O)N[C@....
5 1FV2 - BGC CEQ GAL SLB NGA GAL SIA SIA n/a n/a
6 3HMY - SIA SIA SIA n/a n/a
7 1YXW - TYR GLU TRP n/a n/a
8 3HN1 - SIA SIA n/a n/a
9 1DIW - GAL C6 H12 O6 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FV3 - BGC CEQ GAL SLB NGA GAL SIA SIA n/a n/a
2 1YYN - BGC GLA SIA SIA n/a n/a
3 1DLL - BGC GAL n/a n/a
4 1D0H - A2G C8 H15 N O6 CC(=O)N[C@....
5 1FV2 - BGC CEQ GAL SLB NGA GAL SIA SIA n/a n/a
6 3HMY - SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC CEQ GAL SLB NGA GAL SIA SIA; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC CEQ GAL SLB NGA GAL SIA SIA 1 1
2 CEQ BGC NGA GAL SIA SIA 0.783217 0.953846
3 GAL SIA NGA GAL SIA SIA 0.761194 0.854839
4 GAL NGA GAL SIA SIA 0.717391 0.854839
5 BGC GAL SIA NGA GAL SIA 0.693431 0.83871
6 BGC GAL SIA SIA 0.671533 0.854839
7 GAL SIA NGA GAL SIA 0.664179 0.83871
8 BGC GAL SIA NGA SIA 0.657534 0.854839
9 BGC GAL SIA NGA GAL 0.652482 0.83871
10 BGC GAL GLA NGA GAL SIA 0.629371 0.83871
11 GAL NGA GAL SIA 0.615942 0.83871
12 BGC GAL SIA NGA GAL FUC 0.605263 0.83871
13 SIA GAL NGA GAL 0.604317 0.83871
14 BGC 18C GAL SIA NGA GAL 0.594118 0.823529
15 GAL SIA SIA 0.577778 0.854839
16 BGC GAL SIA NAG 0.561644 0.83871
17 MAG FUC GAL SIA 0.554795 0.83871
18 GAL NAG FUC GAL SIA 0.553333 0.83871
19 A2G GAL SIA 0.550725 0.83871
20 NAG GAL SIA 0.546763 0.83871
21 GAL SIA NGA GAL 0.537931 0.825397
22 BGC 16C GAL SIA 0.536585 0.823529
23 NAG FUC GAL SIA 0.533784 0.83871
24 BGC 18C GAL SIA 0.53012 0.823529
25 Z3Q GAL 5N6 0.529801 0.771429
26 NGA GAL SIA 0.527778 0.822581
27 NGA POL GAL NGC AZI 0.522876 0.702703
28 NGS GAL SIA 0.52027 0.706667
29 NAG GAL SIA SIA 0.513514 0.825397
30 GAL SIA NGA 0.51049 0.83871
31 NAG GAL NGC 0.510204 0.809524
32 NDG GAL SIA SIA 0.503356 0.8
33 NGS FUC GLA SIA 0.5 0.706667
34 GLC GAL NGC 0.496552 0.777778
35 NAG GAL PKM 0.453947 0.825397
36 SLB SIA SIA SIA 0.452555 0.83871
37 SIA SIA SIA SIA SIA SIA SIA 0.452555 0.83871
38 SLB SIA SIA 0.452555 0.83871
39 SLB SIA SIA SIA SIA 0.452555 0.83871
40 SIA SIA SIA 0.446809 0.83871
41 SIA SIA 0.445255 0.83871
42 NAG 2FG SIA 0.443709 0.787879
43 BGC GAL NAG GAL SIA 0.441718 0.825397
44 GAL 5N6 0.440559 0.83871
45 GAL NAG GAL SIA 0.43871 0.825397
46 MBG NGC 0.43662 0.793651
47 2FG SIA 0.432624 0.757576
48 BGC GAL SIA 0.430464 0.793651
49 NAG GAL NAG GAL SIA 0.426829 0.825397
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC CEQ GAL SLB NGA GAL SIA SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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