Receptor
PDB id Resolution Class Description Source Keywords
3LIH 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FRUCTOSYLTRANSFERASE (D191A) FROM A. JA COMPLEX WITH RAFFINOSE ASPERGILLUS JAPONICUS PROTEIN-OLIGOSACCHARIDE COMPLEX FIVE BLADED BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ASPERGILLUS JAPONICUS FRUCTOSYLTRANSFERASE COMPLEX WITH DONOR/ACCEPTOR SU REVEAL COMPLETE SUBSITES IN THE ACTIVE SITE FOR CAT J.BIOL.CHEM. V. 285 23251 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU GLC GLA B:1;
Valid;
none;
submit data
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LIH 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FRUCTOSYLTRANSFERASE (D191A) FROM A. JA COMPLEX WITH RAFFINOSE ASPERGILLUS JAPONICUS PROTEIN-OLIGOSACCHARIDE COMPLEX FIVE BLADED BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ASPERGILLUS JAPONICUS FRUCTOSYLTRANSFERASE COMPLEX WITH DONOR/ACCEPTOR SU REVEAL COMPLETE SUBSITES IN THE ACTIVE SITE FOR CAT J.BIOL.CHEM. V. 285 23251 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 3LIH - FRU GLC GLA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - FRU GLC GLA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - FRU GLC GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRU GLC GLA; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU GLC GLA 1 1
2 GLC FRU GLA GLA GLA 0.982456 1
3 GLC FRU GLA GLA 0.982456 1
4 GLC FRU GLA 0.710145 0.947368
5 GLC FRU FRU 0.651515 0.947368
6 Z9N GLC 0.537313 0.947368
7 MMA MAN 0.53125 0.846154
8 BGC GLC GLC GLC GLC GLC 0.523077 0.891892
9 BGC GLC GLC GLC GLC 0.523077 0.891892
10 GLC FRU 0.5 0.921053
11 ZEE UEA FRU FRU FRU 0.486842 0.947368
12 GLC FRU FRU FRU 0.486842 0.947368
13 BGC GLC GLC 0.472973 0.891892
14 BGC GLC GLC GLC 0.448718 0.891892
15 GLC GLC GLC GLC GLC 0.448718 0.891892
16 AHR AHR AHR AHR AHR AHR 0.439394 0.864865
17 AHR AHR AHR AHR 0.439394 0.864865
18 AHR AHR AHR AHR AHR 0.439394 0.864865
19 AHR AHR 0.4375 0.864865
20 GLC GLC GLC 0.435897 0.846154
21 BMA MAN MAN 0.426667 0.891892
22 BGC BGC BGC BGC 0.419753 0.891892
23 MMA MAN MAN 0.415584 0.846154
24 GLC GLC FRU 0.404762 0.973684
25 H1M MAN MAN 0.402439 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU GLC GLA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLA GLC FRU 0.9325
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LIH; Ligand: FRU GLC GLA; 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: 3lih.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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