Receptor
PDB id Resolution Class Description Source Keywords
5WSY 2 Å NON-ENZYME: OTHER THE COMPLEX STRUCTURE OF SAV606 WITH N-CARBOXYMETHYL-3-AMINO STREPTOMYCES AVERMITILIS (STRAIN ATCC DSM 46492 / JCM 5070 / NBRC 14893 / NCIMB 12804 / NRRL 81654680) THIOESTERASE HOTDOG FOLD HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF THE DUAL-FUNCTION THIOESTERA UNRAVELS THE MECHANISM OF MICHAEL ADDITION OF GLYCI ALPHA , BETA-UNSATURATED THIOESTER. J. BIOL. CHEM. V. 292 10926 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7UC B:201;
A:201;
Valid;
Valid;
none;
none;
submit data
161.156 C6 H11 N O4 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WSY 2 Å NON-ENZYME: OTHER THE COMPLEX STRUCTURE OF SAV606 WITH N-CARBOXYMETHYL-3-AMINO STREPTOMYCES AVERMITILIS (STRAIN ATCC DSM 46492 / JCM 5070 / NBRC 14893 / NCIMB 12804 / NRRL 81654680) THIOESTERASE HOTDOG FOLD HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF THE DUAL-FUNCTION THIOESTERA UNRAVELS THE MECHANISM OF MICHAEL ADDITION OF GLYCI ALPHA , BETA-UNSATURATED THIOESTER. J. BIOL. CHEM. V. 292 10926 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5WSY - 7UC C6 H11 N O4 C[C@H](CC(....
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 5WSY - 7UC C6 H11 N O4 C[C@H](CC(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5WSY - 7UC C6 H11 N O4 C[C@H](CC(....
2 2PFC - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7UC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 7UC 1 1
2 SAR 0.428571 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WSY; Ligand: 7UC; 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: 5wsy.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5WSY; Ligand: 7UC; 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: 5wsy.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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