Research workbench
Olep, the cytochrome P450 epoxidase from streptomyces antibioticus involved in oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole.
Analyse Olep, the cytochrome P450 epoxidase from streptomyces antibioticus involved in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XE3
- Type
- protein
- Length
- 788 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P-450
- UniProt
- Q59819
- Ligands
- HEM, CL6, SO4
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome P-450 | protein | 394 | 48% helix, 9% strand | Q59819 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CL6 · 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1073 | 0.80 | 0.81 | 87 | HEM, CL6 |
| 2 | 1197 | 0.80 | 0.81 | 80 | HEM, CL6 |
| 3 | 467 | 0.74 | 0.83 | 69 | SO4 |
| 4 | 127 | 0.54 | 0.82 | 23 | SO4 |
| 5 | 60 | 0.46 | 0.84 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 835 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4XE3 · OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q59819
- Elsewhere: RCSB PDB 4XE3 · PDBe 4XE3 · UniProt Q59819
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