Research workbench
Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol
Analyse Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OYV
- Type
- protein
- Length
- 897 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.101
- Source
- synthetic construct
- Molecule
- Cytochrome P450 1B1
- Ligands
- EST, HEM
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · resolution 3.101 · 2 distinct chains · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 1B1 | protein | 451 | 55% helix, 10% strand | — |
| B | Cytochrome P450 1B1 | protein | 446 | 55% helix, 10% strand | — |
Ligands and binding sites
- EST · Estradiol · ligand · 2 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1070 | 0.84 | 0.85 | 93 | EST, HEM |
| 2 | 1114 | 0.83 | 0.84 | 98 | EST, HEM |
| 3 | 305 | 0.57 | 0.77 | 36 | empty |
| 4 | 189 | 0.46 | 0.75 | 30 | empty |
| 5 | 54 | 0.43 | 0.83 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 308 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6OYV · Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol · 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
- Elsewhere: RCSB PDB 6OYV · PDBe 6OYV
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