Receptor
PDB id Resolution Class Description Source Keywords
2X52 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3 IN CO A SYNTHETIC DIVALENT CARBOHYDRATE LIGAND TRITICUM AESTIVUM CHITIN-BINDING SUGAR BINDING PROTEIN PROTEIN-CARBOHYDRATE INTERACTION
Ref.: STRUCTURAL BASIS OF MULTIVALENT BINDING TO WHEAT GE AGGLUTININ. J.AM.CHEM.SOC. V. 132 8704 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:1174;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GYT A:1172;
A:1173;
B:1172;
B:1173;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
714.713 C28 H50 N4 O17 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X52 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3 IN CO A SYNTHETIC DIVALENT CARBOHYDRATE LIGAND TRITICUM AESTIVUM CHITIN-BINDING SUGAR BINDING PROTEIN PROTEIN-CARBOHYDRATE INTERACTION
Ref.: STRUCTURAL BASIS OF MULTIVALENT BINDING TO WHEAT GE AGGLUTININ. J.AM.CHEM.SOC. V. 132 8704 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2X52 - GYT C28 H50 N4 O17 CC(=O)N[C@....
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 2X52 - GYT C28 H50 N4 O17 CC(=O)N[C@....
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 2X52 - GYT C28 H50 N4 O17 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GYT; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 GYT 1 1
2 GYU 0.69697 0.852459
3 MAG 0.492537 0.716667
4 2F8 0.492537 0.716667
5 NG1 0.464789 0.671642
6 GN1 0.464789 0.671642
7 SER A2G 0.435897 0.770492
8 3YW 0.434211 0.728814
9 GDL NAG 0.43038 0.813559
10 MBG A2G 0.425 0.766667
11 MAN NAG 0.423077 0.762712
12 GAL NGA 0.419753 0.779661
13 TNR 0.417722 0.783333
14 MBG NAG 0.4125 0.766667
15 A2G NAG 0.4125 0.813559
16 NAG NAG NAG NAG NAG NAG 0.409639 0.830508
17 NDG NAG NAG NAG NAG 0.409639 0.830508
18 NAG NAG NAG NAG NAG 0.409639 0.830508
19 NAG NAG NAG NAG NAG NAG NAG NAG 0.409639 0.830508
20 GAL NAG 0.407407 0.762712
21 NGT NAG 0.404494 0.695652
22 NDG NAG 0.402439 0.830508
23 Z3Q NGA 0.4 0.761194
Similar Ligands (3D)
Ligand no: 1; Ligand: GYT; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X52; Ligand: GYT; 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: 2x52.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2X52; Ligand: GYT; 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: 2x52.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2X52; Ligand: GYT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2x52.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2X52; Ligand: GYT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2x52.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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