Receptor
PDB id Resolution Class Description Source Keywords
1ULG 2.2 Å NON-ENZYME: BINDING CGL2 IN COMPLEX WITH THOMSEN-FRIEDENREICH ANTIGEN COPRINOPSIS CINEREA GALECTIN LECTIN BETA-GALACTOSIDE BINDING LECTIN SUGAR BINSUGAR BINDING PROTEIN
Ref.: STRUCTURE AND FUNCTIONAL ANALYSIS OF THE FUNGAL GAL CGL2 STRUCTURE V. 12 689 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NGA GAL H:1;
E:1;
G:1;
F:1;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 62.2 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ULE 2.15 Å NON-ENZYME: BINDING CGL2 IN COMPLEX WITH LINEAR B2 TRISACCHARIDE COPRINOPSIS CINEREA GALECTIN LECTIN BETA-GALACTOSIDE BINDING LECTIN SUGAR BINSUGAR BINDING PROTEIN
Ref.: STRUCTURE AND FUNCTIONAL ANALYSIS OF THE FUNGAL GAL CGL2 STRUCTURE V. 12 689 2004
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1ULG Kd = 62.2 uM NGA GAL n/a n/a
2 1ULE Kd = 1.2 uM NAG GAL GLA n/a n/a
3 2WKK - NAG FUC GAL n/a n/a
4 1ULF - BGC GAL FUC A2G n/a n/a
5 1ULD Kd = 4.5 uM NAG GAL FUC n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1ULG Kd = 62.2 uM NGA GAL n/a n/a
2 1ULE Kd = 1.2 uM NAG GAL GLA n/a n/a
3 2WKK - NAG FUC GAL n/a n/a
4 1ULF - BGC GAL FUC A2G n/a n/a
5 1ULD Kd = 4.5 uM NAG GAL FUC n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1ULG Kd = 62.2 uM NGA GAL n/a n/a
2 1ULE Kd = 1.2 uM NAG GAL GLA n/a n/a
3 2WKK - NAG FUC GAL n/a n/a
4 1ULF - BGC GAL FUC A2G n/a n/a
5 1ULD Kd = 4.5 uM NAG GAL FUC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 NGA GAL 1.0000
2 A2G GAL 0.9798
3 MGC GAL 0.9539
4 NOK GAL 0.9463
5 GAL NOK 0.9463
6 NAG GAL 0.9460
7 NGA GCD 0.9412
8 LOG GAL 0.9410
9 NAG GAD 0.9259
10 NAG GCD 0.9259
11 NAG GC4 0.9197
12 NDG GAD 0.9187
13 NAG BDP 0.9133
14 BGC GAL 0.8996
15 GAL NGT 0.8989
16 NGT GAL 0.8989
17 MBG GAL 0.8960
18 GLC GAL 0.8910
19 GAL GLA 0.8845
20 GAL GAL 0.8844
21 NDG GAL 0.8805
22 NGA NAG 0.8800
23 FRU GAL 0.8776
24 BGC BGC 0.8747
25 NOY BGC 0.8729
26 BMA GAL 0.8712
27 IFM BMA 0.8660
28 PA1 GCS 0.8651
29 4WS GAL 0.8600
30 BMA BMA 0.8588
31 YIO GAL 0.8576
32 NG6 GCD 0.8531
33 GAL NAG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ULE; Ligand: NAG GAL GLA; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1ule.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E A2G NPO GAL 48
2 3M3E A2G NPO GAL 48
Pocket No.: 2; Query (leader) PDB : 1ULE; Ligand: NAG GAL GLA; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1ule.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E A2G NPO GAL 48
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