Receptor
PDB id Resolution Class Description Source Keywords
1PKF 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF EPOTHILONE D-BOUND CYTOCHROME P450EPOK SORANGIUM CELLULOSUM CYTOCHROME P450EPOK OXIDOREDUCTASE HEME-ENZYME
Ref.: CRYSTAL STRUCTURES OF EPOTHILONE D-BOUND, EPOTHILON B-BOUND, AND SUBSTRATE-FREE FORMS OF CYTOCHROME P45 J.BIOL.CHEM. V. 278 44886 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPD A:450;
 Valid;
 none;
 submit data
491.683 C27 H41 N O5 S Cc1nc...
HEM A:440;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q5D 1.93 Å EC: 1.-.-.- EPOTHILONE B-BOUND CYTOCHROME P450EPOK SORANGIUM CELLULOSUM CYTOCHROME P450 EPOTHILONE OXYDOREDUCTASE HEME-ENZYME OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF EPOTHILONE D-BOUND, EPOTHILON B-BOUND, AND SUBSTRATE-FREE FORMS OF CYTOCHROME P45 J.BIOL.CHEM. V. 278 44886 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1Q5D - EPB C27 H41 N O6 S Cc1nc(cs1)....
2 1PKF - EPD C27 H41 N O5 S Cc1nc(cs1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 1Q5D - EPB C27 H41 N O6 S Cc1nc(cs1)....
2 1PKF - EPD C27 H41 N O5 S Cc1nc(cs1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1Q5D - EPB C27 H41 N O6 S Cc1nc(cs1)....
2 1PKF - EPD C27 H41 N O5 S Cc1nc(cs1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EPD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 EPD 1 1
2 EP 0.621359 0.943396
3 EPB 0.609524 0.943396
Similar Ligands (3D)
Ligand no: 1; Ligand: EPD; 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 : 1Q5D; Ligand: EPB; 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: 1q5d.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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