Receptor
PDB id Resolution Class Description Source Keywords
3BF8 1.68 Å EC: 3.1.-.- 1.1 RESOLUTION STRUCTURE OF YBFF, A NEW ESTERASE FROM ESCHER COLI: A UNIQUE SUBSTRATE-BINDING CREVICE GENERATED BY DOMAIA RRANGEMENT ESCHERICHIA COLI ESTERASE THIOESTERASE YBFF HYDROLASE
Ref.: HIGH-RESOLUTION STRUCTURE OF YBFF FROM ESCHERICHIA A UNIQUE SUBSTRATE-BINDING CREVICE GENERATED BY DOM ARRANGEMENT J.MOL.BIOL. V. 376 1426 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLA A:4892;
B:4892;
Valid;
Valid;
none;
none;
submit data
104.061 C3 H4 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BF8 1.68 Å EC: 3.1.-.- 1.1 RESOLUTION STRUCTURE OF YBFF, A NEW ESTERASE FROM ESCHER COLI: A UNIQUE SUBSTRATE-BINDING CREVICE GENERATED BY DOMAIA RRANGEMENT ESCHERICHIA COLI ESTERASE THIOESTERASE YBFF HYDROLASE
Ref.: HIGH-RESOLUTION STRUCTURE OF YBFF FROM ESCHERICHIA A UNIQUE SUBSTRATE-BINDING CREVICE GENERATED BY DOM ARRANGEMENT J.MOL.BIOL. V. 376 1426 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3BF8 - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3BF8 - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3BF8 - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 3OH 0.533333 0.619048
4 SIN 0.5 0.722222
5 98J 0.428571 0.608696
6 GUA 0.411765 0.65
7 0L1 0.411765 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BF8; Ligand: MLA; 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: 3bf8.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3BF8; Ligand: MLA; 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: 3bf8.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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