Receptor
PDB id Resolution Class Description Source Keywords
1UA7 2.21 Å EC: 3.2.1.1 CRYSTAL STRUCTURE ANALYSIS OF ALPHA-AMYLASE FROM BACILLUS SU COMPLEXED WITH ACARBOSE BACILLUS SUBTILIS BETA-ALPHA-BARRELS ACARBOSE GREEK-KEY MOTIF HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BACILLUS SUBTILIS ALPHA-AMYLAS COMPLEX WITH ACARBOSE J.BACTERIOL. V. 185 6981 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:601;
A:602;
A:603;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
BGC G6D GLC ACI GLD ACI C:1;
 Valid;
 none;
 ic50 = 0.2 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UA7 2.21 Å EC: 3.2.1.1 CRYSTAL STRUCTURE ANALYSIS OF ALPHA-AMYLASE FROM BACILLUS SU COMPLEXED WITH ACARBOSE BACILLUS SUBTILIS BETA-ALPHA-BARRELS ACARBOSE GREEK-KEY MOTIF HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BACILLUS SUBTILIS ALPHA-AMYLAS COMPLEX WITH ACARBOSE J.BACTERIOL. V. 185 6981 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1UA7 ic50 = 0.2 uM BGC G6D GLC ACI GLD ACI n/a n/a
2 1BAG - BGC GLC GLC GLC GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1UA7 ic50 = 0.2 uM BGC G6D GLC ACI GLD ACI n/a n/a
2 1BAG - BGC GLC GLC GLC GLC n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1UA7 ic50 = 0.2 uM BGC G6D GLC ACI GLD ACI n/a n/a
2 1BAG - BGC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC G6D GLC ACI GLD ACI; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC G6D GLC ACI GLD ACI; Similar ligands found: 4
No: Ligand Similarity coefficient
1 BGC G6D GLC ACI GLD ACI 1.0000
2 BGC AC1 GLC AC1 0.9250
3 GLC GLC GLC GLC GLC GLC 0.8960
4 GLC AC1 GLC AC1 0.8940
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UA7; Ligand: BGC G6D GLC ACI GLD ACI; 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: 1ua7.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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