Receptor
PDB id Resolution Class Description Source Keywords
1JLX 2.2 Å NON-ENZYME: BINDING AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE AMARANTHUS CAUDATUS COMPLEX (LECTIN-SACCHARIDE) T-DISACCHARIDE HOMODIMER BIVALLECTIN
Ref.: STRUCTURE OF BENZYL T-ANTIGEN DISACCHARIDE BOUND TO AMARANTHUS CAUDATUS AGGLUTININ. NAT.STRUCT.BIOL. V. 4 779 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FOR A:0;
B:0;
Invalid;
Invalid;
none;
none;
submit data
30.026 C H2 O C=O
A2G MBN GAL C:1;
D:1;
Valid;
Valid;
none;
none;
ic50 = 1.6 uM
473.475 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JLX 2.2 Å NON-ENZYME: BINDING AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE AMARANTHUS CAUDATUS COMPLEX (LECTIN-SACCHARIDE) T-DISACCHARIDE HOMODIMER BIVALLECTIN
Ref.: STRUCTURE OF BENZYL T-ANTIGEN DISACCHARIDE BOUND TO AMARANTHUS CAUDATUS AGGLUTININ. NAT.STRUCT.BIOL. V. 4 779 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1JLX ic50 = 1.6 uM A2G MBN GAL 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 1JLX ic50 = 1.6 uM A2G MBN GAL 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 1JLX ic50 = 1.6 uM A2G MBN GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A2G MBN GAL; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G MBN GAL 1 1
2 GAL A2G MBN 0.604938 0.979167
3 MGC GAL 0.597222 0.918367
4 A2G SER GAL 0.580247 0.849057
5 A2G GAL 0.554054 0.957447
6 A2G NPO GAL 0.528736 0.746032
7 A2G GAL NAG 0.523256 0.9
8 BGC GAL NGA GAL 0.517647 0.957447
9 BGC GAL NAG GAL 0.505747 0.957447
10 A2G THR GAL 0.5 0.884615
11 BGC GAL GLA NGA GAL 0.483516 0.957447
12 NAG GAL 0.474359 0.957447
13 A2G THR GAL NAG 0.469388 0.884615
14 NAG FUC GAL 0.465116 0.9375
15 NGA THR GAL NAG 0.464646 0.884615
16 NAG GAL GAL 0.458824 0.957447
17 TVD GAL 0.455696 0.882353
18 GAL NAG FUC GAL 0.451613 0.9375
19 1GN ACY GAL 1GN BGC ACY GAL BGC 0.44898 0.9
20 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.445545 0.901961
21 NAG FUC 0.444444 0.916667
22 LOG GAL 0.440476 0.807018
23 NAG BMA 0.439024 0.862745
24 NAG GAL FUC 0.438202 0.9375
25 GAL NAG GAL FUC 0.4375 0.9
26 GLA NAG GAL FUC 0.43617 0.9375
27 NAG GAL FUC GLA 0.431579 0.9375
28 GAL NAG GAL 0.426966 0.957447
29 BGC GAL NAG GAL FUC 0.425743 0.9375
30 GAL NGA A2G 0.425287 0.9
31 NAG GAL NAG GAL NAG GAL 0.419355 0.92
32 GAL NAG GAL NAG GAL 0.419355 0.9
33 NAG GAL NAG GAL 0.419355 0.9
34 GLC GAL NAG GAL FUC GLA 0.419048 0.9375
35 GLA NAG FUC GAL 0.418367 0.918367
36 GAL NAG 0.416667 0.957447
37 4UZ 0.416667 0.877551
38 MAN NAG GAL 0.41573 0.957447
39 NAG GAL BGC GAL 0.413043 0.957447
40 A2G NAG 0.404762 0.9
41 NOK GAL 0.402299 0.77193
42 GAL GC2 0.402174 0.666667
43 LEC NGA 0.402062 0.734375
44 9PH 0.401961 0.656716
45 NAG BDP NAG BDP NAG BDP NAG 0.4 0.901961
Similar Ligands (3D)
Ligand no: 1; Ligand: A2G MBN GAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 A2G CG3 GAL 0.8660
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JLX; Ligand: A2G MBN GAL; 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: 1jlx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JLX; Ligand: A2G MBN GAL; 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: 1jlx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback