Receptor
PDB id Resolution Class Description Source Keywords
3O2K 2.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF BREVIANAMIDE F PRENYLTRANSFERASE COMPLE BREVIANAMIDE F AND DIMETHYLALLYL S-THIOLODIPHOSPHATE ASPERGILLUS FUMIGATUS PT BARREL BREVIANAMIDE F PRENYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF AN ENZYMATIC PRENYL REACTION IDENTIFIES A REACTION CHAMBER WITH MODIFIA SPECIFICITY. J.AM.CHEM.SOC. V. 132 17849 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:476;
A:477;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
DST A:501;
Valid;
none;
submit data
264.174 C5 H14 O6 P2 S CC(C)...
MES A:475;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
QRP A:502;
Valid;
none;
submit data
283.325 C16 H17 N3 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O2K 2.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF BREVIANAMIDE F PRENYLTRANSFERASE COMPLE BREVIANAMIDE F AND DIMETHYLALLYL S-THIOLODIPHOSPHATE ASPERGILLUS FUMIGATUS PT BARREL BREVIANAMIDE F PRENYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF AN ENZYMATIC PRENYL REACTION IDENTIFIES A REACTION CHAMBER WITH MODIFIA SPECIFICITY. J.AM.CHEM.SOC. V. 132 17849 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 3O2K - DST C5 H14 O6 P2 S CC(C)CCS[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 3O2K - DST C5 H14 O6 P2 S CC(C)CCS[P....
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 3O2K - DST C5 H14 O6 P2 S CC(C)CCS[P....
2 3I4X - DST C5 H14 O6 P2 S CC(C)CCS[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DST; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DST 1 1
2 ISY 0.475 0.820513
3 IPR 0.425 0.837838
Ligand no: 2; Ligand: QRP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 QRP 1 1
2 CHQ 0.506494 0.903846
3 TYP 0.480519 0.87037
4 1GB 0.433735 0.709091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O2K; Ligand: QRP; 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: 3o2k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3O2K; Ligand: QRP; 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: 3o2k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3O2K; Ligand: DST; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3o2k.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3O2K; Ligand: DST; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3o2k.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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