Receptor
PDB id Resolution Class Description Source Keywords
5XHA 2.1 Å EC: 7.-.-.- ASPERGILLUS KAWACHII BETA-FRUCTOFURANOSIDASE COMPLEXED WITH ASPERGILLUS KAWACHII (STRAIN NBRC 4308ORGANISM_COMMON: WHITE KOJI MOLD FRUCTOOLIGOSACCHARIDES 1-KESTOSE GH32 BETA-PROPELLER HYD
Ref.: CRYSTAL STRUCTURE OF A BETA-FRUCTOFURANOSIDASE WITH TRANSFRUCTOSYLATION ACTIVITY FROM ASPERGILLUS KAWAC BIOSCI. BIOTECHNOL. BIOCHEM. V. 81 1786 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU FRU A:702;
Valid;
none;
submit data
342.297 n/a O(CC1...
FRU A:704;
A:705;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NA A:701;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XHA 2.1 Å EC: 7.-.-.- ASPERGILLUS KAWACHII BETA-FRUCTOFURANOSIDASE COMPLEXED WITH ASPERGILLUS KAWACHII (STRAIN NBRC 4308ORGANISM_COMMON: WHITE KOJI MOLD FRUCTOOLIGOSACCHARIDES 1-KESTOSE GH32 BETA-PROPELLER HYD
Ref.: CRYSTAL STRUCTURE OF A BETA-FRUCTOFURANOSIDASE WITH TRANSFRUCTOSYLATION ACTIVITY FROM ASPERGILLUS KAWAC BIOSCI. BIOTECHNOL. BIOCHEM. V. 81 1786 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - RAF C18 H32 O16 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - RAF C18 H32 O16 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU FRU; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 1 1
3 0UB 0.934783 1
4 SF6 0.511111 0.888889
5 FRU 0.511111 0.888889
6 SF9 0.511111 0.888889
7 PSV 0.511111 0.888889
8 LFR 0.511111 0.888889
9 TA6 0.490566 0.755556
10 F6P 0.490566 0.755556
Ligand no: 2; 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 : 5XHA; 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: 1) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5XHA; 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: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5XHA; Ligand: FRU FRU; 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: 5xha.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5XHA; 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: 4) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5XHA; 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: 5) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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