Receptor
PDB id Resolution Class Description Source Keywords
4ZOA 2.17 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA-GLUCOSIDASE FROM LISTERIA INNOCUA WITH ISOFAGOMINE LISTERIA INNOCUA SEROVAR 6A (STRAIN CL11262) TIM BARREL HYDROLASE BETA-1 2-GLUCAN DEGRADATION CYTOSOL
Ref.: FUNCTIONAL AND STRUCTURAL ANALYSIS OF A BETA-GLUCOS INVOLVED IN BETA-1,2-GLUCAN METABOLISM IN LISTERIA PLOS ONE V. 11 48870 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG B:801;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
IFM B:802;
A:801;
Valid;
Valid;
none;
none;
Ki = 0.0041 mM
147.172 C6 H13 N O3 C1[C@...
MG B:803;
A:802;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZOA 2.17 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA-GLUCOSIDASE FROM LISTERIA INNOCUA WITH ISOFAGOMINE LISTERIA INNOCUA SEROVAR 6A (STRAIN CL11262) TIM BARREL HYDROLASE BETA-1 2-GLUCAN DEGRADATION CYTOSOL
Ref.: FUNCTIONAL AND STRUCTURAL ANALYSIS OF A BETA-GLUCOS INVOLVED IN BETA-1,2-GLUCAN METABOLISM IN LISTERIA PLOS ONE V. 11 48870 2016
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4ZOA Ki = 0.0041 mM IFM C6 H13 N O3 C1[C@@H]([....
2 4ZO8 - BGC BGC n/a n/a
3 4ZO9 - BGC BGC n/a n/a
4 4ZOC - BGC C6 H12 O6 C([C@@H]1[....
5 4ZOB - LGC C6 H10 O6 C([C@@H]1[....
6 4ZOD - BGC C6 H12 O6 C([C@@H]1[....
7 4ZO6 Ki = 21 mM CBI C12 H22 O11 C([C@@H]1[....
8 4ZO7 Ki = 2.8 mM GLC BGC n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4ZOA Ki = 0.0041 mM IFM C6 H13 N O3 C1[C@@H]([....
2 4ZO8 - BGC BGC n/a n/a
3 4ZO9 - BGC BGC n/a n/a
4 4ZOC - BGC C6 H12 O6 C([C@@H]1[....
5 4ZOB - LGC C6 H10 O6 C([C@@H]1[....
6 4ZOD - BGC C6 H12 O6 C([C@@H]1[....
7 4ZO6 Ki = 21 mM CBI C12 H22 O11 C([C@@H]1[....
8 4ZO7 Ki = 2.8 mM GLC BGC n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4ZOA Ki = 0.0041 mM IFM C6 H13 N O3 C1[C@@H]([....
2 4ZO8 - BGC BGC n/a n/a
3 4ZO9 - BGC BGC n/a n/a
4 4ZOC - BGC C6 H12 O6 C([C@@H]1[....
5 4ZOB - LGC C6 H10 O6 C([C@@H]1[....
6 4ZOD - BGC C6 H12 O6 C([C@@H]1[....
7 4ZO6 Ki = 21 mM CBI C12 H22 O11 C([C@@H]1[....
8 4ZO7 Ki = 2.8 mM GLC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IFM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 IFM 1 1
2 GIF 1 1
3 3RK 0.464286 0.815789
4 7K2 0.403846 0.837209
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZOA; Ligand: IFM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4zoa.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZOA; Ligand: IFM; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 4zoa.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OXN OAN 0.00008465 0.44463 16.4706
2 5K6N XYP 0.000001472 0.47046 22.2982
3 4GVF NDG 0.00001139 0.45856 22.3496
4 4GVF NAG 0.00001139 0.45856 22.3496
5 4I3G BGC 0.000000038 0.51895 22.5718
6 5UTQ OAN 0.000006809 0.48455 28.2857
7 5JU6 BGC 0.0000008918 0.48028 29.8222
8 4IID NOJ 0.0000104 0.48665 33.5157
9 3NVD OAN 0.00001591 0.49162 42.3676
10 1X38 IDD 0.00000003978 0.57325 47.8405
11 2X41 BGC 0.0000002213 0.48466 47.9889
Feedback