Receptor
PDB id Resolution Class Description Source Keywords
4EE7 1.67 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE NOVEL PHENAZINE PRENYLTRANSFERASE E COMPLEX WITH S-THIOLODIPHOSPHATE (METHYLATED) STREPTOMYCES CINNAMONENSIS PT FOLD DIHYDROPHENAZINE CARBOXYLATE PRENYLTRANSFERASE TRA
Ref.: STRUCTURE-BASED ENGINEERING INCREASED THE CATALYTIC RATE OF A NOVEL PHENAZINE PRENYLTRANSFERASE. PLOS ONE V. 7 48427 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:406;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PG4 A:402;
A:403;
B:401;
B:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
PIS A:401;
Valid;
none;
submit data
193.033 H3 O6 P2 S OP(=O...
SO4 A:404;
A:405;
B:403;
B:404;
B:405;
B:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EE7 1.67 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE NOVEL PHENAZINE PRENYLTRANSFERASE E COMPLEX WITH S-THIOLODIPHOSPHATE (METHYLATED) STREPTOMYCES CINNAMONENSIS PT FOLD DIHYDROPHENAZINE CARBOXYLATE PRENYLTRANSFERASE TRA
Ref.: STRUCTURE-BASED ENGINEERING INCREASED THE CATALYTIC RATE OF A NOVEL PHENAZINE PRENYLTRANSFERASE. PLOS ONE V. 7 48427 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4EE7 - PIS H3 O6 P2 S OP(=O)(O)O....
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 4EE7 - PIS H3 O6 P2 S OP(=O)(O)O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4EE7 - PIS H3 O6 P2 S OP(=O)(O)O....
2 1ZDW - GST C10 H20 O6 P2 S CC(=CCCC(=....
3 1ZCW - GPP C10 H20 O7 P2 CC(=CCC/C(....
4 1ZB6 - GST C10 H20 O6 P2 S CC(=CCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PIS; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PIS 1 1
2 PPV 0.642857 0.84
3 3PO 0.5 0.84
4 6YW 0.45 0.84
5 PPK 0.409091 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EE7; Ligand: PIS; 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: 4ee7.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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