Receptor
PDB id Resolution Class Description Source Keywords
2WTN 2.1 Å NON-ENZYME: OTHER FERULIC ACID BOUND TO EST1E FROM BUTYRIVIBRIO PROTEOCLASTICUS CLOSTRIDIUM PROTEOCLASTICUM ESTERASE HYDROLASE FERULIC ACID ESTERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A PROMISCUOUS FERULOYL ESTERASE (EST1E) FROM THE RUMEN BACTERIUM BUTYRIVIBRIO PROTEOCLASTICUS. PROTEINS V. 78 1457 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FER A:1250;
B:1249;
Valid;
Valid;
none;
none;
submit data
194.184 C10 H10 O4 COc1c...
GOL A:1249;
A:1251;
A:1252;
B:1250;
B:1251;
B:1252;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PO4 A:1253;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WTN 2.1 Å NON-ENZYME: OTHER FERULIC ACID BOUND TO EST1E FROM BUTYRIVIBRIO PROTEOCLASTICUS CLOSTRIDIUM PROTEOCLASTICUM ESTERASE HYDROLASE FERULIC ACID ESTERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A PROMISCUOUS FERULOYL ESTERASE (EST1E) FROM THE RUMEN BACTERIUM BUTYRIVIBRIO PROTEOCLASTICUS. PROTEINS V. 78 1457 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2WTN - FER C10 H10 O4 COc1cc(ccc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2WTN - FER C10 H10 O4 COc1cc(ccc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2WTN - FER C10 H10 O4 COc1cc(ccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FER; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FER 1 1
2 ZYC 0.647059 0.766667
3 CIY 0.644444 0.875
4 CUR 0.641509 0.766667
5 EUG 0.627907 0.76
6 H7Y 0.627907 0.76
7 4FE 0.617021 1
8 SXX 0.565217 0.888889
9 N7I 0.5625 0.724138
10 DHC 0.555556 0.84
11 C9M 0.54 0.645161
12 V55 0.533333 0.833333
13 PWF 0.515625 0.71875
14 4M4 0.5 0.76
15 3TN 0.476923 0.657143
16 HC4 0.404255 0.708333
17 2E3 0.402985 0.6
18 J57 0.4 0.689655
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WTN; Ligand: FER; 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: 2wtn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WTN; Ligand: FER; 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: 2wtn.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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