Receptor
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, EPOTHILONE B-BOUND, AND SUBSTRATE-FREE FORMS OF CYTOCHROME P450EPOK J.BIOL.CHEM. V. 278 44886 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPB A:450;
Valid;
none;
submit data
507.683 C27 H41 N O6 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, EPOTHILONE B-BOUND, AND SUBSTRATE-FREE FORMS OF CYTOCHROME P450EPOK 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 280 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 247 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 177 families.
1 1Q5D - EPB C27 H41 N O6 S Cc1nc(cs1)....
2 1PKF - EPD C27 H41 N O5 S Cc1nc(cs1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EPB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 EPB 1 1
2 EP 0.666667 1
3 EPD 0.609524 0.943396
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q5D; Ligand: EPB; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 1q5d.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZUX RAM 0.01123 0.42544 1.67064
2 3KO0 TFP 0.01095 0.41563 1.9802
3 2Z4T LBT 0.03844 0.40879 2.6253
4 1P9B HDA 0.02226 0.40678 3.57995
5 4OJP MAL 0.02539 0.40151 4.05728
6 3U1T MLI 0.01518 0.41559 4.53074
7 4Q3F TLA 0.01996 0.41114 5.98291
8 2OFW ADX 0.01398 0.40692 7.21154
9 2NNJ 225 0.01166 0.41472 19.0931
10 2FDW D3G 0.001517 0.40671 21.0024
11 1ZOA 140 0.01669 0.4024 24.821
12 5IBE 69M 0.004013 0.43054 40.9091
13 5D3U TRP 0.007839 0.42815 41.7661
14 4OQR 2UO 0.003256 0.4327 42.7208
15 5L92 C0R 0.002743 0.42913 45.3659
16 5L92 MLA 0.001814 0.42913 45.3659
17 5XJN 88L 0.0067 0.41785 46.0621
18 4DNJ ANN 0.01241 0.41756 46.1165
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