MolNFT v1 · #37274 · protein
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
2FW3 · Carnitine O-palmitoyltransferase II, mitochondrial: “Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326”. X-ray diffraction, 1 ligand (BUI), 5 pockets (best druggability 0.81). MolNFT…
- PDB
- 2FW3
- Type
- protein
- Length
- 623 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine O-palmitoyltransferase II, mitochondrial
- EC
- 2.3.1.21
- UniProt
- P18886
- Ligands
- BUI
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine O-palmitoyltransferase II, mitochondrial (EC 2.3.1.21) | protein | 623 | 47% helix, 14% strand | P18886 |
Ligands and binding sites
- BUI · (3R)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.81 | 0.82 | 96 | BUI |
| 2 | 64 | 0.59 | 0.90 | 19 | empty |
| 3 | 50 | 0.42 | 0.83 | 16 | empty |
| 4 | 59 | 0.38 | 0.80 | 16 | empty |
| 5 | 57 | 0.32 | 0.76 | 13 | empty |
Compared structures
- 2FW3 · Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic… · 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 2FW3 · PDBe 2FW3 · UniProt P18886
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