Receptor
PDB id Resolution Class Description Source Keywords
1Y9G 1.87 Å EC: 3.2.1.80 CRYSTAL STRUCTURE OF EXO-INULINASE FROM ASPERGILLUS AWAMORI WITH FRUCTOSE ASPERGILLUS AWAMORI EXO-INULINASE ASPERGILLUS AWAMORI GLYCOSIDE HYDROLASE FAMICRYSTALLOGRAPHIC STRUCTURE COMPLEX WITH FRUCTOSE HYDROLAS
Ref.: CRYSTAL STRUCTURE OF EXO-INULINASE FROM ASPERGILLUS THE ENZYME FOLD AND STRUCTURAL DETERMINANTS OF SUBS RECOGNITION J.MOL.BIOL. V. 344 471 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU A:801;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
NAG A:2001;
A:3001;
A:5001;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:1001;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y9G 1.87 Å EC: 3.2.1.80 CRYSTAL STRUCTURE OF EXO-INULINASE FROM ASPERGILLUS AWAMORI WITH FRUCTOSE ASPERGILLUS AWAMORI EXO-INULINASE ASPERGILLUS AWAMORI GLYCOSIDE HYDROLASE FAMICRYSTALLOGRAPHIC STRUCTURE COMPLEX WITH FRUCTOSE HYDROLAS
Ref.: CRYSTAL STRUCTURE OF EXO-INULINASE FROM ASPERGILLUS THE ENZYME FOLD AND STRUCTURAL DETERMINANTS OF SUBS RECOGNITION J.MOL.BIOL. V. 344 471 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1Y9G - FRU C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Y9G - FRU C6 H12 O6 C([C@@H]1[....
50% 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 1Y9G - FRU C6 H12 O6 C([C@@H]1[....
2 3KF3 - FRU C6 H12 O6 C([C@@H]1[....
3 3U14 - FRU FRU FRU FRU FRU FRU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 SF9 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 FRU FRU 0.511111 0.888889
9 LBS 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y9G; Ligand: FRU; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1y9g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3PIJ FRU 39.9614
2 2ADD SUC 41.3127
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