Receptor
PDB id Resolution Class Description Source Keywords
2OWW 2.2 Å EC: 2.4.1.25 COVALENT INTERMEDIATE IN AMYLOMALTASE IN COMPLEX WITH THE AC ANALOG 4-DEOXYGLUCOSE THERMUS THERMOPHILUS ALPHA-AMYLASE COVALENT INTERMEDIATE BETA-ALPHA BARREL TRA
Ref.: THREE-WAY STABILIZATION OF THE COVALENT INTERMEDIAT AMYLOMALTASE, AN ALPHA-AMYLASE-LIKE TRANSGLYCOSYLAS J.BIOL.CHEM. V. 282 17242 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G4D A:2300;
Valid;
none;
submit data
164.156 C6 H12 O5 C1[C@...
GOL A:2302;
A:2303;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MLI A:2301;
Invalid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
GLC AC1 B:1;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ESW 1.9 Å EC: 2.4.1.25 X-RAY STRUCTURE OF ACARBOSE BOUND TO AMYLOMALTASE FROM THERM AQUATICUS. IMPLICATIONS FOR THE SYNTHESIS OF LARGE CYCLIC G THERMUS AQUATICUS (BETAALPHA)8-BARREL GLUCANOTRANSFERASE ALPHA-AMYLASE FAMIACARBOSE TRANSFERASE
Ref.: X-RAY STRUCTURE OF ACARBOSE BOUND TO AMYLOMALTASE F THERMUS AQUATICUS. IMPLICATIONS FOR THE SYNTHESIS O CYCLIC GLUCANS. EUR.J.BIOCHEM. V. 267 6903 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2OWW - G4D C6 H12 O5 C1[C@H](O[....
2 1ESW - GLC GLC AC1 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 5 families.
1 2OWW - G4D C6 H12 O5 C1[C@H](O[....
2 1ESW - GLC GLC AC1 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 5 families.
1 2OWW - G4D C6 H12 O5 C1[C@H](O[....
2 1ESW - GLC GLC AC1 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G4D; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 G4D 1 1
2 DEL 0.4 0.852941
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ESW; Ligand: ACR; 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: 1esw.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ESW; Ligand: ACR; 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: 1esw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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