Receptor
PDB id Resolution Class Description Source Keywords
5M9X 2.35 Å EC: 2.4.1.7 STRUCTURE OF SUCROSE PHOSPHORYLASE FROM BIFIDOBACTERIUM ADOL BOUND TO GLYCOSYLATED RESVERATROL BIFIDOBACTERIUM ADOLESCENTIS SUCROSE PHOSPHORYLASE RESVERATROL ENZYME DESIGN TRANSFERA
Ref.: SWITCHING ENZYME SPECIFICITY FROM PHOSPHATE TO RESV GLUCOSYLATION. CHEM. COMMUN. (CAMB.) V. 53 12181 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7KP B:601;
 Valid;
 none;
 submit data
390.384 C20 H22 O8 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GDV 2 Å EC: 2.4.1.7 SUCROSE PHOSPHORYLASE FROM BIFIDOBACTERIUM ADOLESCENTIS REAC SUCROSE BIFIDOBACTERIUM ADOLESCENTIS BETA-ALPHA-BARRELS DIMER GLYCOSIDE HYDROLASE TRANSFERASE
Ref.: STRUCTURAL REARRANGEMENTS OF SUCROSE PHOSPHORYLASE BIFIDOBACTERIUM ADOLESCENTIS DURING SUCROSE CONVERS TO BE PUBLISHED
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5M9X - 7KP C20 H22 O8 c1cc(ccc1/....
2 2GDU - GLC FRU n/a n/a
3 5MAN - GLC GLC n/a n/a
4 2GDV - BGC C6 H12 O6 C([C@@H]1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5M9X - 7KP C20 H22 O8 c1cc(ccc1/....
2 2GDU - GLC FRU n/a n/a
3 5MAN - GLC GLC n/a n/a
4 2GDV - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5M9X - 7KP C20 H22 O8 c1cc(ccc1/....
2 2GDU - GLC FRU n/a n/a
3 5MAN - GLC GLC n/a n/a
4 2GDV - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7KP; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 7KP 1 1
2 R3X 0.657143 0.756757
3 GAL PHB 0.485294 0.916667
4 GAT 0.469697 0.785714
5 56N 0.454545 0.942857
6 3X8 0.430556 0.944444
7 R4G 0.43038 0.756757
8 HNW 0.418919 0.918919
9 GLA NPO 0.410959 0.622642
10 PNW 0.410959 0.622642
11 MBE 0.410959 0.622642
12 147 0.410959 0.622642
13 NBZ GLA 0.410959 0.622642
14 PNA 0.410959 0.622642
15 PNG 0.410959 0.622642
16 EJN 0.407895 0.829268
Similar Ligands (3D)
Ligand no: 1; Ligand: 7KP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GDV; Ligand: BGC; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 2gdv.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3GBE NOJ 7.7381
2 5DO8 BGC 9.3254
3 5DO8 BGC 9.3254
4 5DO8 BGC 9.3254
5 2PWG CTS 18.4524
Pocket No.: 2; Query (leader) PDB : 2GDV; Ligand: BGC; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 2gdv.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3GBE NOJ 7.7381
2 5DO8 BGC 9.3254
3 5DO8 BGC 9.3254
4 5DO8 BGC 9.3254
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