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...
View in 3D viewer
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 1610 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 1331 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 1144 families.
1 2XEM - SSV C15 H18 O CC=CC=CC=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SSV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SSV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: SSV; Similar ligands found: 15
No: Ligand Similarity coefficient
1 MYR 0.9638
2 SP5 0.9383
3 ACA ACA 0.9325
4 BRC 0.9324
5 F15 0.9259
6 TDA 0.9257
7 BDD 0.9240
8 DAO 0.9222
9 SPM 0.9178
10 C14 0.9137
11 BMJ 0.8950
12 PLM 0.8891
13 BNV 0.8874
14 D0G 0.8642
15 PL3 0.8559
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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