MolNFT v1 · #126359 · protein
Crystal structure of cytochrome P450 olet F79A in complex with arachidonic acid
5M0P · Terminal olefin-forming fatty acid decarboxylase: “Crystal structure of cytochrome P450 olet F79A in complex with arachidonic acid”. X-ray diffraction, 3 ligands (HEM, DCR, NA), 9 pockets (best druggability 0.89). MolNFT v1 #126359…
- 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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