Receptor
PDB id Resolution Class Description Source Keywords
4XZ6 2.2 Å NON-ENZYME: TRANSPORT TMOX IN COMPLEX WITH TMAO RUEGERIA POMEROYI (STRAIN ATCC 700808 15171 / DSS-3) ABC TRANSPORTER SUBSTRATE BINDING PROTEIN COMPLEX TRANSPOPROTEIN
Ref.: MECHANISTIC INSIGHT INTO TRIMETHYLAMINE N-OXIDE REC BY THE MARINE BACTERIUM RUEGERIA POMEROYI DSS-3 J.BACTERIOL. V. 197 3378 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
TRS B:403;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
GOL A:403;
A:404;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TMO A:401;
B:401;
Valid;
Valid;
none;
none;
Kd = 1.6 uM
75.11 C3 H9 N O C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XZ6 2.2 Å NON-ENZYME: TRANSPORT TMOX IN COMPLEX WITH TMAO RUEGERIA POMEROYI (STRAIN ATCC 700808 15171 / DSS-3) ABC TRANSPORTER SUBSTRATE BINDING PROTEIN COMPLEX TRANSPOPROTEIN
Ref.: MECHANISTIC INSIGHT INTO TRIMETHYLAMINE N-OXIDE REC BY THE MARINE BACTERIUM RUEGERIA POMEROYI DSS-3 J.BACTERIOL. V. 197 3378 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4XZ6 Kd = 1.6 uM TMO C3 H9 N O C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 4XZ6 Kd = 1.6 uM TMO C3 H9 N O C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 4XZ6 Kd = 1.6 uM TMO C3 H9 N O C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TMO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TMO 1 1
2 TMA 0.428571 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XZ6; Ligand: TMO; 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: 4xz6.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XZ6; Ligand: TMO; 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: 4xz6.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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