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: 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 : 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3pij.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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