MolNFT v1 · #126358 · protein
Crystal structure of cytochrome P450 olet H85Q in complex with arachidonic acid
5M0O · Terminal olefin-forming fatty acid decarboxylase: “Crystal structure of cytochrome P450 olet H85Q in complex with arachidonic acid”. X-ray diffraction, 3 ligands (HEM, EPA, SO4), 8 pockets (best druggability 0.88). MolNFT v1 #126358…
- PDB
- 5M0O
- Type
- protein
- Length
- 840 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, EPA, SO4
- Pockets
- 8 · best druggability 0.88
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 | 419 | 51% helix, 11% strand | E9NSU2 |
| C | 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, C
- EPA · 5,8,11,14,17-eicosapentaenoic acid · ligand · 2 copies · chains A, C
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.88 | 0.93 | 57 | HEM, EPA |
| 2 | 615 | 0.88 | 0.93 | 56 | HEM, EPA |
| 3 | 525 | 0.61 | 0.74 | 57 | empty |
| 4 | 294 | 0.53 | 0.75 | 30 | empty |
| 5 | 92 | 0.34 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 323 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5M0O · Crystal structure of cytochrome P450 OleT H85Q 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 5M0O · PDBe 5M0O · UniProt E9NSU2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.