Receptor
PDB id Resolution Class Description Source Keywords
3P5R 2.25 Å EC: 4.2.3.17 CRYSTAL STRUCTURE OF TAXADIENE SYNTHASE FROM PACIFIC YEW (TA BREVIFOLIA) IN COMPLEX WITH MG2+ AND 2-FLUOROGERANYLGERANYLD IPHOSPHATE TAXUS BREVIFOLIA CLASS I AND II TERPENE CYCLASE FOLD DITERPENE CYCLASE DDXXNSE/DTE MOTIF 2-FLUORO-GERANYLGERANYL DIPHOSPHATE BIOSYNTPACLITAXEL LYASE
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
FGG A:911;
B:911;
 Valid;
Valid;
 none;
none;
 submit data
468.434 C20 H35 F O7 P2 CC(=C...
MG A:901;
A:902;
A:903;
B:901;
B:902;
B:903;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
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: FGG; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 FGG 1 1
2 2CF 0.980769 1
3 FPF 0.980769 1
4 LA6 0.792453 0.97619
5 0FV 0.792453 0.97619
6 ZTP 0.590164 0.906977
7 GRG 0.590164 0.928571
8 FPP 0.590164 0.928571
9 VTP 0.590164 0.906977
10 OTP 0.590164 0.906977
11 FFF 0.537313 1
12 MGM 0.528571 0.722222
13 GPP 0.52459 0.904762
14 ELU 0.514286 0.886364
15 ELR 0.514286 0.886364
16 DSL 0.508475 0.837209
17 FJP 0.508475 0.857143
18 0K3 0.508475 0.837209
19 3E9 0.5 0.886364
20 FPS 0.469697 0.822222
21 GGS 0.469697 0.822222
22 HZZ 0.457627 0.833333
23 FDF 0.457143 0.930233
24 PS7 0.439024 0.847826
25 FHP 0.421875 0.711111
26 GST 0.409091 0.8
27 FPQ 0.405405 0.77551
Similar Ligands (3D)
Ligand no: 1; Ligand: FGG; 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