Receptor
PDB id Resolution Class Description Source Keywords
5X5M 1.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A HYDROLASE ENCODED BY LIN2189 FROM LIS INNOCUA LISTERIA INNOCUA SEROVAR 6A (STRAIN AT680 / CLIP 11262) HYDROLASE HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: GYRI-LIKE PROTEINS CATALYZE CYCLOPROPANOID HYDROLYS CONFER CELLULAR PROTECTION NAT COMMUN V. 8 1485 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7YU B:302;
A:302;
 Valid;
Valid;
 none;
none;
 ic50 = 4 pM
679.698 C35 H29 N5 O8 S COc1c...
DMS B:301;
A:301;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X5M 1.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A HYDROLASE ENCODED BY LIN2189 FROM LIS INNOCUA LISTERIA INNOCUA SEROVAR 6A (STRAIN AT680 / CLIP 11262) HYDROLASE HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: GYRI-LIKE PROTEINS CATALYZE CYCLOPROPANOID HYDROLYS CONFER CELLULAR PROTECTION NAT COMMUN V. 8 1485 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5X5M ic50 = 4 pM 7YU C35 H29 N5 O8 S COc1cc2c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5X5M ic50 = 4 pM 7YU C35 H29 N5 O8 S COc1cc2c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5X5M ic50 = 4 pM 7YU C35 H29 N5 O8 S COc1cc2c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7YU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7YU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 7YU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X5M; Ligand: 7YU; 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: 5x5m.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5X5M; Ligand: 7YU; 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: 5x5m.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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