Receptor
PDB id Resolution Class Description Source Keywords
3WY1 2.15 Å EC: 3.2.1.20 CRYSTAL STRUCTURE OF ALPHA-GLUCOSIDASE HALOMONAS SP. H11 ALPHA-GLUCOSIDASE TIM BARREL GLUCOSIDASE CARBOHYDRATE/SUGBINDING HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF THE ALPHA-GLUCOSIDASE HAG PR NEW INSIGHTS INTO SUBSTRATE SPECIFICITY AND CATALYT MECHANISM ACTA CRYSTALLOGR. D BIOL. V. 71 1382 2015 CRYSTALLOGR.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRU B:602;
A:602;
Valid;
Valid;
none;
none;
submit data
290.267 C12 H18 O8 C[C@H...
MG B:601;
A:600;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL A:601;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WY2 1.47 Å EC: 3.2.1.20 CRYSTAL STRUCTURE OF ALPHA-GLUCOSIDASE IN COMPLEX WITH GLUCO HALOMONAS SP. H11 ALPHA-GLUCOSIDASE TIM BARREL GLUCOSIDASE CARBOHYDRATE/SUGBINDING HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF THE ALPHA-GLUCOSIDASE HAG PR NEW INSIGHTS INTO SUBSTRATE SPECIFICITY AND CATALYT MECHANISM ACTA CRYSTALLOGR. D BIOL. V. 71 1382 2015 CRYSTALLOGR.
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3WY1 - PRU C12 H18 O8 C[C@H](C[C....
2 3WY2 - BGC C6 H12 O6 C([C@@H]1[....
3 3WY4 - GLC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3WY1 - PRU C12 H18 O8 C[C@H](C[C....
2 3WY2 - BGC C6 H12 O6 C([C@@H]1[....
3 3WY4 - GLC GLC n/a n/a
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ZCE - GLC GLC GLC GLC n/a n/a
2 5ZCC - GLC GLC n/a n/a
3 5ZCD - GLC GLC GLC n/a n/a
4 4GI6 - GLC C6 H12 O6 C([C@@H]1[....
5 2PWD Ki = 40 uM NOJ C6 H13 N O4 C1[C@@H]([....
6 2PWG Ki = 15 uM CTS C8 H15 N O4 C1C[N@]2C[....
7 2PWF - BGC C6 H12 O6 C([C@@H]1[....
8 2PWE - GLC FRU n/a n/a
9 5BRP - PNG C12 H15 N O8 c1cc(ccc1[....
10 5WCZ - NOJ C6 H13 N O4 C1[C@@H]([....
11 4M56 - GLO C6 H12 O6 C([C@H]([C....
12 3GBE Ki = 10 uM NOJ C6 H13 N O4 C1[C@@H]([....
13 3AXH - GLC GLC n/a n/a
14 3AXI - GLC C6 H12 O6 C([C@@H]1[....
15 3A4A - GLC C6 H12 O6 C([C@@H]1[....
16 3WY1 - PRU C12 H18 O8 C[C@H](C[C....
17 3WY2 - BGC C6 H12 O6 C([C@@H]1[....
18 3WY4 - GLC GLC n/a n/a
19 4HOZ - GLC C6 H12 O6 C([C@@H]1[....
20 4HPH - GLC FRU n/a n/a
21 2ZID - GLC GLC GLC n/a n/a
22 5DO8 - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PRU 1 1
2 PAY 1 1
3 9ON 0.447368 0.782609
4 HCT 0.425 0.772727
Similar Ligands (3D)
Ligand no: 1; Ligand: PRU; 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 : 3WY2; Ligand: BGC; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3wy2.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1JG9 GLC 17.1004
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