Receptor
PDB id Resolution Class Description Source Keywords
1ULF 2.36 Å NON-ENZYME: BINDING CGL2 IN COMPLEX WITH BLOOD GROUP A TETRASACCHARIDE 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
BGC GAL FUC A2G C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
691.633 n/a O=C(N...
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: BGC GAL FUC A2G; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL FUC A2G 1 1
2 GLC GAL NAG GAL FUC A2G 0.833333 0.938776
3 BGC FUC GAL FUC A2G 0.797619 0.978723
4 BGC GAL FUC GLA 0.7375 0.73913
5 NAG FUC GAL FUC A2G 0.730337 0.938776
6 NAG GAL FUC FUC A2G 0.730337 0.938776
7 GLC GAL NAG GAL FUC GLA 0.72043 1
8 GAL FUC A2G 0.674699 1
9 NAG GAL FUC GLA 0.670455 1
10 BGC GAL NGA 0.658537 0.978261
11 BGC GAL NAG 0.647059 0.978261
12 BGC GAL NAG GAL FUC 0.631579 1
13 BGC FUC GAL NAG 0.630435 1
14 BGC GAL GLA NGA 0.629214 0.978261
15 HSH A2G FUC 0.623656 0.836364
16 GLC GAL BGC FUC 0.617284 0.73913
17 BGC GAL FUC 0.617284 0.73913
18 BGC GAL NAG GAL FUC FUC 0.59 0.978723
19 NAG GAL FUC A2G 0.568182 1
20 BMA MAN NAG 0.561798 0.978261
21 BGC GAL NGA GAL 0.555556 0.978261
22 BGC FUC GAL NAG GAL 0.544554 1
23 BGC GAL NAG GAL 0.543478 0.978261
24 GLA NAG GAL FUC 0.536842 1
25 BGC GAL GLA NGA GAL 0.520833 0.978261
26 GDL NAG 0.517647 0.958333
27 MBG A2G 0.511628 0.978723
28 NAG GAL FUC 0.51087 1
29 NAG GAL NAG 0.505376 0.958333
30 GAL NGA A2G 0.5 0.958333
31 NAG NAG BMA MAN NAG 0.5 0.938776
32 GAL NAG GAL FUC FUC 0.5 0.978723
33 NDG FUC GAL FUC 0.5 0.978723
34 NAG GAL FUC FUC 0.5 0.978723
35 NDG NAG GLA NAG GLC RAM 0.495495 0.938776
36 NDG GLA NAG GLC RAM 0.495495 0.938776
37 NDG NAG NAG NAG NAG 0.494382 0.938776
38 NAG NAG NAG NAG NAG NAG NAG NAG 0.494382 0.938776
39 NAG NAG NAG NAG NAG 0.494382 0.938776
40 NAG NAG NAG NAG NAG NAG 0.494382 0.938776
41 MAN NAG 0.494118 0.978261
42 GAL NAG GAL FUC 0.49 0.958333
43 GAL NAG FUC GAL 0.489796 1
44 NAG FUC GAL 0.48913 1
45 MMA MAN NAG 0.483871 0.978723
46 GLC BGC FUC GAL 0.482759 0.73913
47 BGC FUC GAL 0.482759 0.73913
48 A2G NAG 0.482759 0.958333
49 NDG GLA GLC NAG GLC RAM 0.482456 0.938776
50 BMA MAN MAN NAG GAL NAG 0.477064 0.958333
51 MAN MAN NAG 0.473684 0.9375
52 BGC GAL NAG NAG GAL GAL 0.471698 0.958333
53 GAL FUC GAL 0.471264 0.73913
54 NAG FUC 0.471264 0.978261
55 MAG FUC GAL FUC 0.46875 0.958333
56 MAG GAL FUC FUC 0.46875 0.958333
57 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.46729 0.92
58 MBG NAG 0.465909 0.978723
59 MAN MAN MAN NAG NAG 0.465347 0.958333
60 GAL NGA 0.455556 0.916667
61 RAM MAN GLA ABE 0.455446 0.729167
62 BMA Z4Y NAG 0.455446 0.957447
63 BGC GAL SIA NGA GAL FUC 0.454545 0.884615
64 GAL NAG GAL 0.452632 0.978261
65 NDG BMA MAN MAN NAG GAL NAG 0.452174 0.938776
66 NAG BDP NAG BDP NAG BDP NAG 0.451923 0.92
67 AMU NAG 0.44898 0.92
68 NDG BMA MAN MAN NAG MAN MAN 0.448276 0.958333
69 NAG NAG BMA MAN MAN NAG GAL NAG 0.448276 0.938776
70 GAL NAG GAL NAG GAL 0.444444 0.958333
71 NAG GAL NAG GAL 0.444444 0.958333
72 NAG GAL NAG GAL NAG GAL 0.444444 0.938776
73 MAN NAG GAL 0.442105 0.978261
74 NDG NAG 0.43956 0.938776
75 BGC GAL GLA 0.436782 0.717391
76 ACG 0.436364 0.82
77 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.434109 0.793103
78 HSH GLA FUC 0.43299 0.648148
79 NAG NGO 0.43299 0.867925
80 NAG GAL 0.431818 0.978261
81 BGC GAL SIA NAG 0.430894 0.884615
82 C4W NAG FUC BMA MAN NAG 0.429752 0.884615
83 NAG NAG NAG NAG NAG NAG NAG 0.428571 0.867925
84 NAG NAG NAG NAG 0.428571 0.867925
85 MAN BMA BMA BMA BMA BMA BMA 0.428571 0.717391
86 NAG NAG NAG 0.428571 0.867925
87 C4W NAG FUC BMA MAN MAN NAG NAG 0.428571 0.884615
88 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.428571 0.717391
89 GLC GLC GLC GLC BGC GLC GLC 0.428571 0.717391
90 GLA NAG FUC GAL 0.428571 0.978723
91 GAL NAG 0.428571 0.978261
92 RAM MAN GLA TYV RAM GLC MAN GLA TYV 0.421053 0.714286
93 NAG GAL GAL 0.421053 0.978261
94 Z3Q NGA 0.42 0.779661
95 RAM MAN GLA ABE RAM MAN GLA ABE 0.419643 0.714286
96 MAG SGA FUC 0.419048 0.730159
97 C4W NAG FUC BMA 0.418182 0.884615
98 BGC BGC BGC BGC BGC BGC BGC BGC 0.417582 0.717391
99 3QL 0.416667 0.884615
100 MMA MAN NAG MAN NAG NAG 0.415094 0.92
101 NM9 NAG 0.414141 0.901961
102 Z4S NAG NAG 0.411765 0.867925
103 GLC GLC AC1 0.411111 0.833333
104 C4W NAG FUC BMA MAN MAN NAG 0.410853 0.884615
105 RAM MAN GLA ABE RAM MAN GLA 0.410256 0.714286
106 C4W NAG FUC BMA MAN 0.410256 0.884615
107 NGT NAG 0.41 0.793103
108 NAG GAL GLC NAG GLC RAM 0.409524 0.958333
109 YZ0 MAN MAN NAG MAN 0.409091 0.978723
110 NAG BMA MAN MAN NAG GAL NAG GAL 0.408696 0.938776
111 MAN NAG PO4 NGA PO4 0.407767 0.807018
112 BGC GAL SIA NGA SIA 0.407407 0.867925
113 C4W NAG FUC BMA MAN NAG GAL 0.406504 0.793103
114 A2G GAL NAG 0.405941 0.958333
115 AH0 NAG 0.405941 0.851852
116 GLC BGC G6D ACI 0.40566 0.82
117 BMA BMA BMA BMA 0.402174 0.717391
118 NDG GAL FUC FUC 0.401961 0.9
119 AMV NAG AMU NAG 0.401869 0.901961
120 AAO 0.401786 0.82
121 ARE 0.401786 0.82
122 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.401786 0.773585
123 MGC GAL 0.4 0.978723
124 NAG AH0 0.4 0.851852
125 A2G GAL 0.4 0.978261
126 LEC NGA 0.4 0.71875
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GAL FUC A2G; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC GAL FUC A2G 0.9565
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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