Receptor
PDB id Resolution Class Description Source Keywords
1RP9 2 Å EC: 3.2.1.1 CRYSTAL STRUCTURE OF BARLEY ALPHA-AMYLASE ISOZYME 1 (AMY1) I MUTANT D180A IN COMPLEX WITH ACARBOSE HORDEUM VULGARE ALPHA-AMYLASE BARLEY ISOZYME 1 INACTIVE MUTANT BETA-ALPHSUGAR TONGS BINDING SITE ACARBOSE HYDROLASE
Ref.: OLIGOSACCHARIDE BINDING TO BARLEY {ALPHA}-AMYLASE 1 J.BIOL.CHEM. V. 280 32968 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:500;
A:501;
A:502;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC GLC DAF D:1;
C:1;
Valid;
Valid;
none;
none;
submit data
n/a n/a
GLC BGC DAF B:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QPU 1.7 Å EC: 3.2.1.1 SUGAR TONGS MUTANT S378P IN COMPLEX WITH ACARBOSE HORDEUM VULGARE ALPHA BETA 8 BARREL SUGAR TONGS MUTANT COMPLEX CARBOHYDRATMETABOLISM GERMINATION GLYCOSIDASE HYDROLASE METAL-BINDSECRETED
Ref.: THE 'PAIR OF SUGAR TONGS' SITE ON THE NON-CATALYTIC OF BARLEY ALPHA-AMYLASE PARTICIPATES IN SUBSTRATE B AND ACTIVITY FEBS J. V. 274 5055 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1P6W - GTM SGC SGC BGC n/a n/a
2 1RP9 - GLC GLC DAF n/a n/a
3 1RPK - GLC DAF n/a n/a
4 1RP8 - GLC GLC GLC GLC GLC n/a n/a
5 2QPU - QPU C19 H35 N O12 CC1[C@H]([....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1P6W - GTM SGC SGC BGC n/a n/a
2 1RP9 - GLC GLC DAF n/a n/a
3 1RPK - GLC DAF n/a n/a
4 1RP8 - GLC GLC GLC GLC GLC n/a n/a
5 2QPU - QPU C19 H35 N O12 CC1[C@H]([....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1P6W - GTM SGC SGC BGC n/a n/a
2 1RP9 - GLC GLC DAF n/a n/a
3 1RPK - GLC DAF n/a n/a
4 1RP8 - GLC GLC GLC GLC GLC n/a n/a
5 2QPU - QPU C19 H35 N O12 CC1[C@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC DAF; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC BGC DAF; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC DAF; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GLC GLC DAF 1.0000
2 BGC GLC AC1 0.9542
3 GLC GLC GLC GLC 0.8904
4 GLC GLC AC1 0.8669
5 BGC GLC GLC GLC 0.8576
Ligand no: 2; Ligand: GLC BGC DAF; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC BGC DAF 0.9999
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QPU; Ligand: QPU; 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: 2qpu.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2QPU; Ligand: QPU; 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: 2qpu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QPU; Ligand: QPU; 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: 2qpu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2QPU; Ligand: QPU; 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: 2qpu.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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