Receptor
PDB id Resolution Class Description Source Keywords
4ffi 2.3 Å EC: 4.2.2.16 CRYSTAL STRUCTURE OF LEVAN FRUCTOTRANSFERASE D54N MUTANT FRO ARTHROBACTER UREAFACIENS IN COMPLEX WITH LEVANBIOSE ARTHROBACTER UREAFACIENS GLYCOSIDE HYDROLASE TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL BASIS FOR SUBSTRATE SPECI AND CATALYSIS OF LEVAN FRUCTOTRANSFERASE. J.BIOL.CHEM. V. 287 31233 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU FRU FRU H:1;
 Valid;
 none;
 submit data
504.438 n/a O(CC1...
FRU FRU J:1;
F:1;
L:1;
G:1;
M:1;
I:1;
E:1;
N:1;
K:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
340.281 n/a O=CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FFG 2.3 Å EC: 4.2.2.16 CRYSTAL STRUCTURE OF LEVAN FRUCTOTRANSFERASE FROM ARTHROBACT UREAFACIENS IN COMPLEX WITH DFA-IV ARTHROBACTER UREAFACIENS GLYCOSIDE HYDROLASE TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL BASIS FOR SUBSTRATE SPECI AND CATALYSIS OF LEVAN FRUCTOTRANSFERASE. J.BIOL.CHEM. V. 287 31233 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FFG - FRU FRU n/a n/a
2 4FFH - GLC FRU n/a n/a
3 4FFI - FRU FRU n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FFG - FRU FRU n/a n/a
2 4FFH - GLC FRU n/a n/a
3 4FFI - FRU FRU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FFG - FRU FRU n/a n/a
2 4FFH - GLC FRU n/a n/a
3 4FFI - FRU FRU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRU FRU FRU; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU FRU 1 1
2 FRU FRU FRU FRU 1 1
3 GLC FRU FRU 0.5 0.921053
4 FRU 0.479167 0.888889
5 PSV 0.479167 0.888889
6 LFR 0.479167 0.888889
7 SF6 0.479167 0.888889
8 SF9 0.479167 0.888889
9 TA6 0.464286 0.755556
10 F6P 0.464286 0.755556
11 GLC GLC FRU 0.459459 0.897436
12 FRU FRU 0.446154 0.972973
13 Z9N GLC 0.409091 0.921053
Ligand no: 2; Ligand: FRU FRU; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 FRU FRU FRU 0.446154 0.972973
3 FRU FRU FRU FRU 0.446154 0.972973
4 GLC FRU FRU FRU 0.4 0.897436
5 ZEE UEA FRU FRU FRU 0.4 0.897436
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU FRU FRU; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: FRU FRU; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GLC FRU 0.9109
2 MMA MAN 0.8590
3 0U8 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FFG; Ligand: 0U8; 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: 4ffg.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4FFG; 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: 2) in the query (biounit: 4ffg.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4FFG; Ligand: 0U8; 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: 4ffg.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4FFG; Ligand: 0U8; 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: 4ffg.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4FFG; Ligand: 0U8; 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: 4ffg.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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