Research workbench
Cytochrome P450 peroxygenase CYP152K6 in complex with myristic acid
Analyse Cytochrome P450 peroxygenase CYP152K6 in complex with myristic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FYJ
- Type
- protein
- Length
- 417 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty-acid peroxygenase
- EC
- 1.11.2.4
- UniProt
- I3DZK9
- Ligands
- MYR, HEM
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty-acid peroxygenase (EC 1.11.2.4) | protein | 417 | 52% helix, 12% strand | I3DZK9 |
Ligands and binding sites
- MYR · Myristic acid · ligand · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 709 | 0.88 | 0.91 | 66 | MYR, HEM, PEG |
| 2 | 50 | 0.41 | 0.83 | 18 | empty |
| 3 | 83 | 0.37 | 0.77 | 18 | empty |
| 4 | 53 | 0.28 | 0.75 | 17 | empty |
| 5 | 51 | 0.27 | 0.74 | 15 | empty |
Compared structures
- 6FYJ · Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid · the same entry in another collection · chain A against A, TM-score 1.00
- I3DZK9 · AlphaFold monomer V2.0 prediction for fatty-acid peroxygenase (I3DZK9) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 I3DZK9
- Elsewhere: RCSB PDB 6FYJ · PDBe 6FYJ · UniProt I3DZK9
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