Receptor
PDB id Resolution Class Description Source Keywords
3WG4 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF AGROCYBE CYLINDRACEA GALECTIN MUTANT (N BLOOD TYPE A ANTIGEN TETRAOSE AGROCYBE CYLINDRACEA GALECTIN GALACTOSE BINDING SUGAR BINDING PROTEIN
Ref.: CONFORMATIONAL CHANGE OF A UNIQUE SEQUENCE IN A FUN GALECTIN FROM AGROCYBE CYLINDRACEA CONTROLS GLYCAN LIGAND-BINDING SPECIFICITY. FEBS LETT. V. 587 3620 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG B:201;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
A2G GAL NAG FUC A:201;
B:202;
Valid;
Valid;
none;
none;
submit data
732.686 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WG3 1.35 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF AGROCYBE CYLINDRACEA GALECTIN WITH BLOO ANTIGEN TETRAOSE AGROCYBE CYLINDRACEA GALECTIN GALACTOSE BINDING SUGAR BINDING PROTEIN
Ref.: CONFORMATIONAL CHANGE OF A UNIQUE SEQUENCE IN A FUN GALECTIN FROM AGROCYBE CYLINDRACEA CONTROLS GLYCAN LIGAND-BINDING SPECIFICITY. FEBS LETT. V. 587 3620 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3WG4 - A2G GAL NAG FUC n/a n/a
2 3WG3 - A2G GAL NAG FUC n/a n/a
3 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
9 3WG4 - A2G GAL NAG FUC n/a n/a
10 3WG3 - A2G GAL NAG FUC n/a n/a
11 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
12 1WW4 - GLA GLC SIA n/a n/a
13 1WW6 - GAL BGC n/a n/a
14 1WW5 - SGA BGC n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
9 3WG4 - A2G GAL NAG FUC n/a n/a
10 3WG3 - A2G GAL NAG FUC n/a n/a
11 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
12 1WW4 - GLA GLC SIA n/a n/a
13 1WW6 - GAL BGC n/a n/a
14 1WW5 - SGA BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2G GAL NAG FUC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G GAL NAG FUC 1 1
2 FUC GAL NAG A2G 1 1
3 A2G GAL BGC FUC 0.809524 0.938776
4 FUC GAL NAG A2G FUC 0.770115 1
5 NAG GAL FUC FUC A2G 0.770115 1
6 GLC FUC GAL FUC A2G 0.755814 0.959184
7 BGC FUC GAL FUC A2G 0.755814 0.959184
8 FUC GAL NDG 0.703704 0.938776
9 DR2 0.703704 0.938776
10 FUL GAL NAG 0.703704 0.938776
11 FUC GAL NAG 0.703704 0.938776
12 NAG GAL FUC 0.703704 0.938776
13 NDG GAL FUC 0.703704 0.938776
14 GAL NAG FUC 0.703704 0.938776
15 GLC GAL NAG GAL FUC A2G 0.683673 1
16 A2G GAL NAG FUC GAL GLC 0.683673 1
17 NAG GDL 0.675325 0.979592
18 CBS CBS 0.675325 0.979592
19 NDG NAG 0.675325 0.979592
20 CBS 0.675325 0.979592
21 FUC GLA A2G 0.674699 0.938776
22 FUC GAL A2G 0.674699 0.938776
23 A2G GAL FUC 0.674699 0.938776
24 A2G GLA FUC 0.674699 0.938776
25 NGA GAL FUC 0.674699 0.938776
26 NAG FUC 0.662338 0.897959
27 NAG GAL NAG 0.647059 0.979592
28 NAG NAG NAG NDG 0.641975 1
29 NAG NAG NAG NAG NAG 0.641975 1
30 NAG NAG NAG NAG NDG 0.641975 1
31 NAG NAG NAG NAG NAG NAG 0.641975 1
32 NDG NAG NAG 0.641975 1
33 NDG NAG NAG NDG 0.641975 1
34 NAG NAG NDG NAG 0.641975 1
35 NAG NAG NDG 0.641975 1
36 NAG NAG NAG NAG NAG NAG NAG NAG 0.641975 1
37 CTO 0.641975 1
38 NDG NAG NAG NAG 0.641975 1
39 BGA 0.62766 0.824561
40 FUC BGC GAL NAG 0.595745 0.938776
41 GLA GAL NAG FUC GAL GLC 0.584158 0.938776
42 BGC GLA GAL FUC 0.579545 0.693878
43 NLC 0.555556 0.918367
44 NDG GAL 0.555556 0.918367
45 GAL NDG 0.555556 0.918367
46 NAG GAL GAL NAG 0.554348 0.979592
47 GAL NAG GAL NAG GAL NAG 0.554348 1
48 NAG BMA NAG MAN MAN NAG NAG 0.537736 1
49 MAN BMA NAG 0.534091 0.918367
50 GLA GAL NAG 0.534091 0.918367
51 FUC NDG GAL FUC 0.532609 0.959184
52 GAL NAG FUC FUC 0.532609 0.959184
53 BDZ 0.532609 0.959184
54 FUC GAL NAG FUC 0.532609 0.959184
55 BCW 0.532609 0.959184
56 FUC GAL NDG FUC 0.532609 0.959184
57 FUC NAG GAL FUC 0.532609 0.959184
58 GAL NDG FUC FUC 0.532609 0.959184
59 NAG MAN BMA NDG MAN NAG GAL 0.53211 1
60 FUC BGC GAL NAG GAL 0.529412 0.938776
61 DR3 0.527473 0.938776
62 NAG NAG BMA MAN MAN NAG GAL NAG 0.527273 1
63 M5G 0.527273 0.979592
64 FUC GAL NAG GAL BGC 0.519608 0.938776
65 GLC NAG GAL GAL FUC 0.519608 0.938776
66 GAL GLC NAG GAL FUC 0.519608 0.938776
67 SN5 SN5 0.511628 0.811321
68 NGA GAL BGC 0.511111 0.918367
69 FUC NDG GAL 0.505495 0.938776
70 GAL NDG FUC 0.505495 0.938776
71 NAG MAN BMA 0.505495 0.918367
72 NAG GAL BGC 0.505376 0.918367
73 NAG A2G 0.5 0.979592
74 TCG 0.5 0.844828
75 NAG NGA 0.5 0.979592
76 NGA GLA GAL BGC 0.494845 0.918367
77 BGC GAL FUC 0.488636 0.693878
78 FUC GAL GLC 0.488636 0.693878
79 8B7 0.488636 0.693878
80 GLC GAL FUC 0.488636 0.693878
81 LAT FUC 0.488636 0.693878
82 GAL NAG 0.488372 0.918367
83 NAG GAL 0.488372 0.918367
84 NAG MAN MAN MAN NAG GAL NAG GAL 0.486239 1
85 MAN BMA NAG NAG MAN NAG GAL GAL 0.486239 1
86 BGC GAL NAG GAL FUC FUC 0.485981 0.959184
87 GLC GAL NAG GAL FUC FUC 0.485981 0.959184
88 FUC GAL NAG GAL FUC 0.485149 0.959184
89 NAG MAN MMA 0.483871 0.92
90 GAL NGA A2G 0.483516 0.979592
91 A2G MBG 0.477273 0.92
92 MBG A2G 0.477273 0.92
93 MAN MAN NAG 0.473684 0.882353
94 NAG NAG BMA MAN MAN 0.471698 0.979592
95 G6S NAG 0.468085 0.707692
96 FUC NAG 0.466667 0.849057
97 NAG MBG 0.465909 0.92
98 NAG MAN MAN MAN NAG 0.465347 0.979592
99 NAG AMU 0.463918 0.98
100 NAG MUB 0.463918 0.98
101 NAG MAN BMA MAN NAG GAL 0.463636 0.979592
102 GLA NAG GAL FUC 0.46 0.938776
103 GAL NAG GAL FUC 0.46 0.938776
104 NAG NAG NAG 0.458333 0.924528
105 NAG NAG NAG NAG 0.458333 0.924528
106 NGA GAL 0.455556 0.862745
107 GLA GLA FUC 0.454545 0.693878
108 GAL GAL FUC 0.454545 0.693878
109 LAT NAG GAL 0.454545 0.918367
110 FUC GLA GLA 0.454545 0.693878
111 GLA GAL FUC 0.454545 0.693878
112 GLC GAL NAG GAL 0.454545 0.918367
113 FUC GAL GLA 0.454545 0.693878
114 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.452991 0.979592
115 NAG BDP NAG BDP NAG BDP NAG 0.451923 0.98
116 NAG NDG 0.445652 0.886792
117 NAG NAG 0.445652 0.886792
118 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.445455 0.918367
119 NAG GAL GAL NAG GAL 0.444444 0.979592
120 MAG FUC GAL 0.442105 0.94
121 GAL NAG MAN 0.442105 0.918367
122 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.440367 0.98
123 FUC C4W NAG BMA MAN MAN NAG NAG 0.44 0.942308
124 Z4S NAG NAG 0.44 0.924528
125 NAG MAN MAN 0.438776 0.918367
126 UNU GAL NAG 0.435644 0.96
127 FUC BGC GAL 0.433333 0.693878
128 3QL 0.431579 0.90566
129 FUC C4W NAG BMA 0.431193 0.942308
130 DLD 0.43 0.813559
131 NAG BMA MAN MAN MAN MAN 0.429907 0.918367
132 FUC C4W NAG BMA MAN NAG 0.429752 0.942308
133 MMA MAN NAG MAN NAG NAG 0.428571 0.98
134 GAL NAG GAL BGC 0.427184 0.882353
135 NOJ NAG NAG 0.425743 0.857143
136 NOJ NAG NAG NAG 0.425743 0.875
137 BGB 0.424242 0.614035
138 GAL BGC NAG GAL 0.424242 0.918367
139 GAL NAG GAL 0.424242 0.882353
140 NAG MAN 0.423913 0.959184
141 FUC C4W NAG BMA MAN 0.422414 0.942308
142 BGC GAL NAG GAL 0.42 0.918367
143 GAL NAG GAL GLC 0.42 0.918367
144 FUC NAG TA5 0.419048 0.691176
145 FUC NAG GAL 0.418367 0.867925
146 NAG AMU NAG AMV 0.415094 0.960784
147 FUC NAG GLA GAL 0.415094 0.92
148 KPM 0.415094 0.923077
149 NAG NM9 0.414141 0.960784
150 NAG NAG NGT 0.413462 0.830508
151 BMA Z4Y NAG 0.413462 0.9
152 6Y2 0.413462 0.765625
153 HS2 0.412371 0.882353
154 FUC C4W NAG BMA MAN MAN NAG 0.410853 0.942308
155 NGT NAG 0.41 0.813559
156 WZ5 0.409091 0.92
157 NAG NAG BMA 0.405941 0.90566
158 AH0 NAG 0.405941 0.907407
159 NAG NDG BMA 0.405941 0.90566
160 NAG A2G GAL 0.405941 0.979592
161 NAG NAG BMA MAN MAN NAG NAG 0.404959 0.924528
162 GAL NGA GLA BGC GAL 0.403846 0.918367
163 NAG AMU ALA DGL 0.401709 0.907407
164 A2G GAL 0.4 0.918367
165 BEK GAL NAG 0.4 0.859649
166 GAL NGA 0.4 0.918367
167 8VZ 0.4 0.96
168 GAL A2G 0.4 0.918367
169 LEC NGA 0.4 0.765625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WG3; Ligand: A2G GAL NAG FUC; 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: 3wg3.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3WG3; Ligand: A2G GAL NAG FUC; 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: 3wg3.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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