MolNFT v1 · #90946 · protein
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1- yl]-2-phenoxy-ethanone
4EYW · Carnitine O-palmitoyltransferase 2, mitochondrial: “Crystal structure of rat carnitine palmitoyltransferase 2 in complex with…”. X-ray diffraction, 1 ligand (L0R), 12 pockets (best druggability 0.81). MolNFT v1 #90946 on GenesisL1…
- PDB
- 4EYW
- Type
- protein
- Length
- 1,261 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine O-palmitoyltransferase 2, mitochondrial
- EC
- 2.3.1.21
- UniProt
- P18886
- Ligands
- L0R
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine O-palmitoyltransferase 2, mitochondrial (EC 2.3.1.21) | protein | 627 | 46% helix, 15% strand | P18886 |
| B | Carnitine O-palmitoyltransferase 2, mitochondrial (EC 2.3.1.21) | protein | 634 | 46% helix, 15% strand | P18886 |
Ligands and binding sites
- L0R · 1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone · ligand · 2 copies · chains A, B
- P6G · Hexaethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.81 | 0.82 | 94 | L0R, P6G |
| 2 | 1055 | 0.80 | 0.81 | 81 | L0R, P6G |
| 3 | 1163 | 0.77 | 0.79 | 105 | empty |
| 4 | 54 | 0.61 | 0.92 | 17 | empty |
| 5 | 59 | 0.60 | 0.91 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1177 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4EYW · Crystal structure of rat carnitine palmitoyltransferase 2 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P18886 · AlphaFold monomer V2.0 prediction for carnitine O-palmitoyltransferase 2, mitochondrial… · a predicted model of the same protein · 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 P18886
- Elsewhere: RCSB PDB 4EYW · PDBe 4EYW · UniProt P18886
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