Receptor
PDB id Resolution Class Description Source Keywords
2AEL 2.5 Å EC: 4.2.3.6 R304K TRICHODIENE SYNTHASE: COMPLEX WITH MG, PYROPHOSPHATE, 7-AZABISABOLENE FUSARIUM SPOROTRICHIOIDES TERPENOID CYCLASE FOLD SITE-DIRECTED MUTANT PYROPHOSPHATEAZABISABOLENE LYASE
Ref.: ROLE OF ARGININE-304 IN THE DIPHOSPHATE-TRIGGERED A SITE CLOSURE MECHANISM OF TRICHODIENE SYNTHASE. BIOCHEMISTRY V. 44 12719 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:750;
A:752;
B:751;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG B:701;
B:702;
B:703;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
POP B:700;
Invalid;
none;
submit data
175.959 H2 O7 P2 O[P@@...
SAZ B:704;
Valid;
none;
Ki = 0.51 uM
208.363 C14 H26 N CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AEL 2.5 Å EC: 4.2.3.6 R304K TRICHODIENE SYNTHASE: COMPLEX WITH MG, PYROPHOSPHATE, 7-AZABISABOLENE FUSARIUM SPOROTRICHIOIDES TERPENOID CYCLASE FOLD SITE-DIRECTED MUTANT PYROPHOSPHATEAZABISABOLENE LYASE
Ref.: ROLE OF ARGININE-304 IN THE DIPHOSPHATE-TRIGGERED A SITE CLOSURE MECHANISM OF TRICHODIENE SYNTHASE. BIOCHEMISTRY V. 44 12719 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AEL Ki = 0.51 uM SAZ C14 H26 N CC1=CC[C@@....
2 1YYR - SAZ C14 H26 N CC1=CC[C@@....
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 2AEL Ki = 0.51 uM SAZ C14 H26 N CC1=CC[C@@....
2 1YYR - SAZ C14 H26 N CC1=CC[C@@....
50% 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 2AEL Ki = 0.51 uM SAZ C14 H26 N CC1=CC[C@@....
2 1YYR - SAZ C14 H26 N CC1=CC[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SAZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AEL; Ligand: SAZ; 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: 2ael.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AEL; Ligand: SAZ; 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: 2ael.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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