Receptor
PDB id Resolution Class Description Source Keywords
5kew 2.1 Å NON-ENZYME: OTHER VIBRIO PARAHAEMOLYTICUS VTRA/VTRC COMPLEX BOUND TO THE BILE TAURODEOXYCHOLATE VIBRIO PARAHAEMOLYTICUS SEROTYPE O3:K6RIMD 2210633) HETERODIMER ALPHA/BETA CALYCIN BETA BARREL SUPERFAMILY BIRECEPTOR TAURODEOXYCHOLATE SIGNALING PROTEIN
Ref.: BILE SALT RECEPTOR COMPLEX ACTIVATES A PATHOGENIC T SECRETION SYSTEM. ELIFE V. 5 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:303;
A:302;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
EDO A:303;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
6SB A:301;
D:301;
F:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 315.4 nM
499.704 C26 H45 N O6 S C[C@H...
SO4 C:303;
C:302;
D:302;
E:302;
B:302;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KEW 2.1 Å NON-ENZYME: OTHER VIBRIO PARAHAEMOLYTICUS VTRA/VTRC COMPLEX BOUND TO THE BILE TAURODEOXYCHOLATE VIBRIO PARAHAEMOLYTICUS SEROTYPE O3:K6RIMD 2210633) HETERODIMER ALPHA/BETA CALYCIN BETA BARREL SUPERFAMILY BIRECEPTOR TAURODEOXYCHOLATE SIGNALING PROTEIN
Ref.: BILE SALT RECEPTOR COMPLEX ACTIVATES A PATHOGENIC T SECRETION SYSTEM. ELIFE V. 5 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5KEW Kd = 315.4 nM 6SB C26 H45 N O6 S C[C@H](CCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5KEW Kd = 315.4 nM 6SB C26 H45 N O6 S C[C@H](CCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5KEW Kd = 315.4 nM 6SB C26 H45 N O6 S C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6SB; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 6SB 1 1
2 TCH 0.666667 0.985075
3 CPQ 0.563025 0.675325
4 TUD 0.548077 1
5 5D5 0.548077 1
6 GCH 0.5 0.657143
7 CPS 0.495798 0.842105
8 1N7 0.491803 0.846154
Similar Ligands (3D)
Ligand no: 1; Ligand: 6SB; Similar ligands found: 1
No: Ligand Similarity coefficient
1 CHO 0.8813
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KEW; Ligand: 6SB; 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: 5kew.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5KEW; Ligand: 6SB; 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: 5kew.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5KEW; Ligand: 6SB; 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: 5kew.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5KEW; Ligand: 6SB; 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: 5kew.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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