Receptor
PDB id Resolution Class Description Source Keywords
3ZUY 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE BILE ACID SYMPORTER ASBT. NEISSERIA MENINGITIDIS TRANSPORT PROTEIN MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE BILE ACID SODIUM SYMPORTER ASBT. NATURE V. 478 408 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LDA A:1314;
A:1315;
A:1316;
A:1317;
A:1318;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
229.402 C14 H31 N O CCCCC...
NA A:1310;
A:1311;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
PTY A:1319;
A:1320;
 Invalid;
Invalid;
 none;
none;
 submit data
734.039 C40 H80 N O8 P CCCCC...
TCH A:1312;
A:1313;
 Valid;
Valid;
 none;
none;
 submit data
515.703 C26 H45 N O7 S C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZUY 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE BILE ACID SYMPORTER ASBT. NEISSERIA MENINGITIDIS TRANSPORT PROTEIN MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE BILE ACID SODIUM SYMPORTER ASBT. NATURE V. 478 408 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3ZUX - TCH C26 H45 N O7 S C[C@H](CCC....
2 3ZUY - TCH C26 H45 N O7 S C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 3ZUX - TCH C26 H45 N O7 S C[C@H](CCC....
2 3ZUY - TCH C26 H45 N O7 S C[C@H](CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 3ZUX - TCH C26 H45 N O7 S C[C@H](CCC....
2 3ZUY - TCH C26 H45 N O7 S C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TCH; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 TCH 1 1
2 GCH 0.771739 0.666667
3 CPS 0.737864 0.828947
4 1N7 0.726415 0.833333
5 6SB 0.666667 0.985075
6 TUD 0.653061 0.985075
7 5D5 0.653061 0.985075
8 CHO 0.485981 0.666667
9 7CW 0.433071 0.607595
Similar Ligands (3D)
Ligand no: 1; Ligand: TCH; 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 : 3ZUY; Ligand: TCH; 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: 3zuy.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZUY; Ligand: TCH; 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: 3zuy.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZUY; Ligand: TCH; 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: 3zuy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZUY; Ligand: TCH; 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: 3zuy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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