Receptor
PDB id Resolution Class Description Source Keywords
3PIJ 1.8 Å EC: 3.2.1.26 BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM - COMPLE FRUCTOSE BIFIDOBACTERIUM LONGUM FIVE-BLADED BETA-PROPELLER AND BETA-SANDWICH DOMAINS GLYCOSHYDROLASE FAMILY 32 PROBIOTIC BACTERIA FRUCTOSE HYDROLAS
Ref.: CRYSTAL STRUCTURES OF THE APO FORM OF BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM COMPLEX WITH FRUCTOSE FEBS J. V. 278 1728 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:528;
A:529;
B:528;
B:529;
B:530;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FRU A:527;
B:527;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PIJ 1.8 Å EC: 3.2.1.26 BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM - COMPLE FRUCTOSE BIFIDOBACTERIUM LONGUM FIVE-BLADED BETA-PROPELLER AND BETA-SANDWICH DOMAINS GLYCOSHYDROLASE FAMILY 32 PROBIOTIC BACTERIA FRUCTOSE HYDROLAS
Ref.: CRYSTAL STRUCTURES OF THE APO FORM OF BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM COMPLEX WITH FRUCTOSE FEBS J. V. 278 1728 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3PIJ - 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 8 families.
1 3PIJ - FRU C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3PIJ - FRU C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 SF9 1 1
2 PSV 1 1
3 FRU 1 1
4 SF6 1 1
5 LFR 1 1
6 TA6 0.564103 0.744186
7 F6P 0.564103 0.744186
8 LBS 0.511111 0.888889
9 FRU FRU 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
13 FRU FRU FRU FRU 0.479167 0.888889
14 GLC Z9N 0.44 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PIJ; Ligand: FRU; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3pij.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2ADD SUC 38.9734
2 1Y9G FRU 39.9614
Pocket No.: 2; Query (leader) PDB : 3PIJ; Ligand: FRU; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3pij.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2ADD SUC 38.9734
2 1Y9G FRU 39.9614
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