Research workbench
Crystal structure of cytochrome P450 olet F79A in complex with arachidonic acid
Analyse Crystal structure of cytochrome P450 olet F79A in complex with arachidonic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5M0P
- Type
- protein
- Length
- 845 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Terminal olefin-forming fatty acid decarboxylase
- UniProt
- E9NSU2
- Ligands
- HEM, DCR, NA
- Pockets
- 9 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Terminal olefin-forming fatty acid decarboxylase | protein | 424 | 50% helix, 12% strand | E9NSU2 |
| B | Terminal olefin-forming fatty acid decarboxylase | protein | 421 | 50% helix, 12% strand | E9NSU2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- DCR · icosanoic acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 669 | 0.89 | 0.93 | 59 | HEM, DCR |
| 2 | 657 | 0.89 | 0.93 | 59 | HEM, DCR |
| 3 | 432 | 0.67 | 0.79 | 49 | empty |
| 4 | 154 | 0.49 | 0.77 | 36 | empty |
| 5 | 55 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 389 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5M0P · Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid · 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 E9NSU2
- Elsewhere: RCSB PDB 5M0P · PDBe 5M0P · UniProt E9NSU2
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