Research workbench
Structure of CYP153A from polaromonas sp. in complex with octan-1-ol
Analyse Structure of CYP153A from polaromonas sp. in complex with octan-1-ol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AO7
- Type
- protein
- Length
- 2,388 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- UniProt
- Q11ZY2
- Ligands
- HEM, OC9
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 5 distinct chains · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Cytochrome P450 | protein | 401 | 51% helix, 10% strand | Q11ZY2 |
| B | Cytochrome P450 | protein | 397 | 53% helix, 10% strand | Q11ZY2 |
| D | Cytochrome P450 | protein | 397 | 52% helix, 10% strand | Q11ZY2 |
| E | Cytochrome P450 | protein | 402 | 50% helix, 10% strand | Q11ZY2 |
| F | Cytochrome P450 | protein | 390 | 51% helix, 11% strand | Q11ZY2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 6 copies · chains A, B, C, D, E, F
- OC9 · Octan-1-ol · ligand · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.86 | 0.95 | 53 | HEM, OC9 |
| 2 | 347 | 0.86 | 0.95 | 54 | HEM, OC9 |
| 3 | 353 | 0.86 | 0.95 | 51 | HEM, OC9 |
| 4 | 599 | 0.85 | 0.90 | 64 | HEM, OC9 |
| 5 | 751 | 0.84 | 0.87 | 90 | HEM |
Interfaces
9 interfaces between chains.
- B–C · 1048 Ų buried · 7 hydrogen bonds · protein-protein
- A–F · 972 Ų buried · 3 hydrogen bonds · protein-protein
- D–E · 808 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 437 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 422 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7AO7 · Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol · 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 Q11ZY2
- Elsewhere: RCSB PDB 7AO7 · PDBe 7AO7 · UniProt Q11ZY2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.