MolNFT v1 · #27487 · protein
Crystal structure of mouse carnitine octanoyltransferase
1XL7 · Peroxisomal carnitine O-octanoyltransferase: “Crystal structure of mouse carnitine octanoyltransferase”. X-ray diffraction, 8 pockets (best druggability 0.79). MolNFT v1 #27487 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1XL7
- Type
- protein
- Length
- 1,191 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisomal carnitine O-octanoyltransferase
- EC
- 2.3.1.137
- UniProt
- Q9DC50
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisomal carnitine O-octanoyltransferase (EC 2.3.1.137) | protein | 591 | 48% helix, 15% strand | Q9DC50 |
| B | Peroxisomal carnitine O-octanoyltransferase (EC 2.3.1.137) | protein | 600 | 48% helix, 15% strand | Q9DC50 |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 9 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 832 | 0.79 | 0.82 | 69 | EPE, MPD |
| 2 | 861 | 0.78 | 0.81 | 73 | EPE, MPD |
| 3 | 69 | 0.63 | 0.91 | 16 | empty |
| 4 | 90 | 0.62 | 0.89 | 19 | empty |
| 5 | 88 | 0.56 | 0.86 | 21 | empty |
Modifications
Observed in the structure: 34 modified (engineered).
Compared structures
- 1XL7 · Crystal Structure of Mouse Carnitine Octanoyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
- Q9DC50 · AlphaFold monomer V2.0 prediction for peroxisomal carnitine O-octanoyltransferase (Q9DC50) · a predicted model of the same protein · chain B 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 Q9DC50
- Elsewhere: RCSB PDB 1XL7 · PDBe 1XL7 · UniProt Q9DC50
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