Receptor
PDB id Resolution Class Description Source Keywords
5ZCE 1.56 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ALPHA-GLUCOSIDASE IN COMPLEX WITH MALTO BACILLUS SP. ALPHA-GLUCOSIDASE HYDROLASE
Ref.: FUNCTION AND STRUCTURE OF GH13_31 ALPHA-GLUCOSIDASE HIGH ALPHA-(1→4)-GLUCOSIDIC LINKAGE SPECIFICI TRANSGLUCOSYLATION ACTIVITY. FEBS LETT. V. 592 2268 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:604;
A:602;
A:603;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
GLC GLC GLC GLC B:1;
 Valid;
 none;
 submit data
648.564 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZCE 1.56 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ALPHA-GLUCOSIDASE IN COMPLEX WITH MALTO BACILLUS SP. ALPHA-GLUCOSIDASE HYDROLASE
Ref.: FUNCTION AND STRUCTURE OF GH13_31 ALPHA-GLUCOSIDASE HIGH ALPHA-(1→4)-GLUCOSIDIC LINKAGE SPECIFICI TRANSGLUCOSYLATION ACTIVITY. FEBS LETT. V. 592 2268 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 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
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 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
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: GLC GLC GLC GLC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
3 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 4PW 0.5 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 BGC GLC GLC GLC 0.9840
2 GLC GLC AC1 0.9642
3 GLC G6D ADH GLC 0.9064
4 GLC GAL GLD ACI 0.9008
5 GLC G6D ACI GLC 0.8960
6 BGC GLC AC1 0.8951
7 GLC GLC DAF 0.8904
8 GLO GLC GLC GLC 0.8881
9 GLC GLC GLC BGC 0.8817
10 SOR GLC GLC GLC 0.8761
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZCE; Ligand: GLC GLC GLC GLC; 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: 5zce.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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