Receptor
PDB id Resolution Class Description Source Keywords
3P5P 1.82 Å EC: 4.2.3.17 CRYSTAL STRUCTURE OF TAXADIENE SYNTHASE FROM PACIFIC YEW (TA BREVIFOLIA) IN COMPLEX WITH MG2+ AND 13-AZA-13,14-DIHYDROCOD IPHOSPHATE TAXUS BREVIFOLIA CLASS I AND II TERPENE CYCLASE FOLD DITERPENE CYCLASE DDXXNSE/DTE MOTIF 3-AZACOPALYL DIPHOSPHATE BIOSYNTHESIS OF PALYASE
Ref.: TAXADIENE SYNTHASE STRUCTURE AND EVOLUTION OF MODUL ARCHITECTURE IN TERPENE BIOSYNTHESIS. NATURE V. 469 116 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3C A:911;
A:912;
 Valid;
Valid;
 none;
none;
 submit data
453.447 C19 H37 N O7 P2 C[C@]...
EDO A:921;
A:922;
A:923;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MG A:901;
A:902;
A:903;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P5P 1.82 Å EC: 4.2.3.17 CRYSTAL STRUCTURE OF TAXADIENE SYNTHASE FROM PACIFIC YEW (TA BREVIFOLIA) IN COMPLEX WITH MG2+ AND 13-AZA-13,14-DIHYDROCOD IPHOSPHATE TAXUS BREVIFOLIA CLASS I AND II TERPENE CYCLASE FOLD DITERPENE CYCLASE DDXXNSE/DTE MOTIF 3-AZACOPALYL DIPHOSPHATE BIOSYNTHESIS OF PALYASE
Ref.: TAXADIENE SYNTHASE STRUCTURE AND EVOLUTION OF MODUL ARCHITECTURE IN TERPENE BIOSYNTHESIS. NATURE V. 469 116 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3P5R - FGG C20 H35 F O7 P2 CC(=CCC/C(....
2 3P5P - A3C C19 H37 N O7 P2 C[C@]12CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3P5R - FGG C20 H35 F O7 P2 CC(=CCC/C(....
2 3P5P - A3C C19 H37 N O7 P2 C[C@]12CCC....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3SDT - AHD C4 H9 N O7 P2 C(CC(O)(P(....
2 3SDU - GST C10 H20 O6 P2 S CC(=CCCC(=....
3 3SAE - FPS C15 H28 O6 P2 S CC(=CCC/C(....
4 3SDR - 210 C3 H11 N O7 P2 C(CN)C(O)(....
5 3SDV - 911 C2 H8 O7 P2 CC(O)(P(=O....
6 3P5R - FGG C20 H35 F O7 P2 CC(=CCC/C(....
7 3P5P - A3C C19 H37 N O7 P2 C[C@]12CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A3C; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 A3C 1 1
2 ECP 0.579545 0.779661
Similar Ligands (3D)
Ligand no: 1; Ligand: A3C; 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 : 3P5P; Ligand: A3C; 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: 3p5p.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3P5P; Ligand: A3C; 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: 3p5p.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback