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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: 26
This union binding pocket(no: 1) in the query (biounit: 2bjf.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4D52 GIV 1.5873
2 4D52 GXL 1.5873
3 4D4U FUC NDG GAL FUC 1.5873
4 4D4U FUC GAL NAG 1.5873
5 2ZWS PLM 2.12766
6 5EO8 TFU 2.2508
7 1ZPT FAD 2.30263
8 4V36 LYN 2.73556
9 5OKT 9XK 2.86624
10 2PNC CLU 3.64742
11 3GDN MXN 3.95137
12 4K55 H6P 4.03226
13 2G30 ALA ALA PHE 4.65116
14 1OFZ FUC 4.80769
15 4M5P MLA 4.86322
16 4M5P 23W 4.86322
17 4KQP GLN 5.17241
18 6EOM ALA LYS 5.77508
19 3PPQ CHT 5.78778
20 6AC9 ANP 6.07903
21 3CH6 311 6.29371
22 3CH6 NAP 6.29371
23 1JPA ANP 6.73077
24 3BP1 GUN 7.58621
25 4Y8D 49J 9.72644
26 5M90 JIF 18.541
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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