Receptor
PDB id Resolution Class Description Source Keywords
4LIX 1.55 Å EC: 5.5.1.13 CRYSTAL STRUCTURE OF ENT-COPALYL DIPHOSPHATE SYNTHASE FROM A THALIANA IN COMPLEX WITH (S)-15-AZA-14,15-DIHYDROGERANYLGERT HIOLODIPHOSPHATE AT 1.55 A RESOLUTION ARABIDOPSIS THALIANA CLASS I AND II TERPENE CYCLASE FOLD CLASS II DITERPENE CYCLMOTIF GIBBERELLIN BIOSYNTHESIS BIOSYNTHESIS OF ENT-COPALYDIPHOSPHATE ISOMERASE
Ref.: 1.55 ANGSTROM -RESOLUTION STRUCTURE OF ENT-COPALYL DIPHOSPHATE SYNTHASE AND EXPLORATION OF GENERAL ACI FUNCTION BY SITE-DIRECTED MUTAGENESIS. BIOCHIM.BIOPHYS.ACTA V.1840 184 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:903;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PO4 A:902;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
AG8 A:901;
Valid;
none;
submit data
469.513 C19 H37 N O6 P2 S C/C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LIX 1.55 Å EC: 5.5.1.13 CRYSTAL STRUCTURE OF ENT-COPALYL DIPHOSPHATE SYNTHASE FROM A THALIANA IN COMPLEX WITH (S)-15-AZA-14,15-DIHYDROGERANYLGERT HIOLODIPHOSPHATE AT 1.55 A RESOLUTION ARABIDOPSIS THALIANA CLASS I AND II TERPENE CYCLASE FOLD CLASS II DITERPENE CYCLMOTIF GIBBERELLIN BIOSYNTHESIS BIOSYNTHESIS OF ENT-COPALYDIPHOSPHATE ISOMERASE
Ref.: 1.55 ANGSTROM -RESOLUTION STRUCTURE OF ENT-COPALYL DIPHOSPHATE SYNTHASE AND EXPLORATION OF GENERAL ACI FUNCTION BY SITE-DIRECTED MUTAGENESIS. BIOCHIM.BIOPHYS.ACTA V.1840 184 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LIX - AG8 C19 H37 N O6 P2 S C/C(=CCC/C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LIX - AG8 C19 H37 N O6 P2 S C/C(=CCC/C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LIX - AG8 C19 H37 N O6 P2 S C/C(=CCC/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AG8; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 AG8 1 1
2 GGS 0.701754 0.816327
3 FPS 0.701754 0.816327
4 GST 0.631579 0.795918
5 6C7 0.464286 0.693878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LIX; Ligand: AG8; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 4lix.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CEN BGC BGC 0.001755 0.46874 2.91545
2 3CMJ SRT 0.02021 0.40356 3.01075
3 5GNX BGC 0.02821 0.40245 3.02613
4 5UI2 SUC 0.025 0.40304 3.15457
5 2X1L MET 0.03014 0.40533 3.24427
6 3EJW PAV 0.01802 0.40855 6.34921
7 5LUN ARG 0.02545 0.40093 6.53409
8 1GVE CIT 0.02564 0.40727 11.315
9 1VBJ CIT 0.03546 0.401 11.3879
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