Receptor
PDB id Resolution Class Description Source Keywords
2BJF 1.67 Å EC: 3.5.1.24 CRYSTAL STRUCTURE OF CONJUGATED BILE ACID HYDROLASE FROM CLOSTRIDIUM PERFRINGENS IN COMPLEX WITH REACTION PRODUCTS T AURINE AND DEOXYCHOLATE CLOSTRIDIUM PERFRINGENS AMIDOHYDROLASE NTN-HYDROLASE BILE ACIDS HYDROLASE BSH
Ref.: CONJUGATED BILE ACID HYDROLASE IS A TETRAMERIC N-TERMINAL THIOL HYDROLASE WITH SPECIFIC RECOGNITION OF ITS CHOLYL BUT NOT OF ITS TAURYL PRODUCT BIOCHEMISTRY V. 44 5739 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DXC A:330;
Valid;
none;
submit data
392.572 C24 H40 O4 C[C@H...
GOL A:332;
A:333;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TAU A:331;
Invalid;
none;
submit data
125.147 C2 H7 N O3 S C(CS(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BJF 1.67 Å EC: 3.5.1.24 CRYSTAL STRUCTURE OF CONJUGATED BILE ACID HYDROLASE FROM CLOSTRIDIUM PERFRINGENS IN COMPLEX WITH REACTION PRODUCTS T AURINE AND DEOXYCHOLATE CLOSTRIDIUM PERFRINGENS AMIDOHYDROLASE NTN-HYDROLASE BILE ACIDS HYDROLASE BSH
Ref.: CONJUGATED BILE ACID HYDROLASE IS A TETRAMERIC N-TERMINAL THIOL HYDROLASE WITH SPECIFIC RECOGNITION OF ITS CHOLYL BUT NOT OF ITS TAURYL PRODUCT BIOCHEMISTRY V. 44 5739 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BJF - DXC C24 H40 O4 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 1 families.
1 2BJF - DXC C24 H40 O4 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 1 families.
1 2BJF - DXC C24 H40 O4 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DXC; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 DXC 1 1
2 4OA 0.619048 0.972222
3 CHD 0.609195 1
4 GCH 0.485149 0.714286
5 JN3 0.478261 1
6 82R 0.425743 0.767442
7 LOA 0.424242 0.868421
8 LHP 0.415842 0.846154
9 3KL 0.408163 0.891892
10 AOM 0.404762 0.857143
11 AON 0.404762 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BJF; Ligand: DXC; 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: 2bjf.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BJF; Ligand: DXC; 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: 2bjf.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BJF; Ligand: DXC; 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: 2bjf.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BJF; Ligand: DXC; 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: 2bjf.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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