Receptor
PDB id Resolution Class Description Source Keywords
2XEM 2.1 Å NON-ENZYME: OTHER INDUCED-FIT AND ALLOSTERIC EFFECTS UPON POLYENE BINDING REVEALED BY CRYSTAL STRUCTURES OF THE DYNEMICIN T HIOESTERASE MICROMONOSPORA CHERSINA BIOSYNTHETIC PROTEIN POLYKETIDE BIOSYNTHESIS ENEDIYNE ANTIAGENT THIOESTERASE
Ref.: INDUCED-FIT UPON LIGAND BINDING REVEALED BY CRYSTAL STRUCTURES OF THE HOT-DOG FOLD THIOESTERASE IN DYNE BIOSYNTHESIS. J.MOL.BIOL. V. 404 291 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SSV B:1145;
Valid;
none;
submit data
214.303 C15 H18 O CC=CC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XEM 2.1 Å NON-ENZYME: OTHER INDUCED-FIT AND ALLOSTERIC EFFECTS UPON POLYENE BINDING REVEALED BY CRYSTAL STRUCTURES OF THE DYNEMICIN T HIOESTERASE MICROMONOSPORA CHERSINA BIOSYNTHETIC PROTEIN POLYKETIDE BIOSYNTHESIS ENEDIYNE ANTIAGENT THIOESTERASE
Ref.: INDUCED-FIT UPON LIGAND BINDING REVEALED BY CRYSTAL STRUCTURES OF THE HOT-DOG FOLD THIOESTERASE IN DYNE BIOSYNTHESIS. J.MOL.BIOL. V. 404 291 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 2XEM - SSV C15 H18 O CC=CC=CC=C....
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 2XEM - SSV C15 H18 O CC=CC=CC=C....
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 2XEM - SSV C15 H18 O CC=CC=CC=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SSV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XEM; Ligand: SSV; 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: 2xem.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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