MolNFT v1 · #90639 · protein
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with CoA-site inhibitor
4EP9 · Carnitine O-palmitoyltransferase 2, mitochondrial: “Crystal structure of rat carnitine palmitoyltransferase 2 in complex with CoA-site inhibitor”. X-ray diffraction, 2 ligands (0RD, PLM), 5 pockets (best druggability 0.78). MolNFT…
- PDB
- 4EP9
- Type
- protein
- Length
- 625 residues
- Chains
- 1
- 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
- 0RD, PLM
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine O-palmitoyltransferase 2, mitochondrial (EC 2.3.1.21) | protein | 625 | 46% helix, 15% strand | P18886 |
Ligands and binding sites
- 0RD · 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid · ligand · chains A
- PLM · Palmitic acid · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1140 | 0.78 | 0.80 | 93 | 0RD, PLM |
| 2 | 118 | 0.46 | 0.79 | 26 | empty |
| 3 | 66 | 0.35 | 0.77 | 13 | empty |
| 4 | 56 | 0.34 | 0.78 | 15 | empty |
| 5 | 62 | 0.33 | 0.76 | 14 | empty |
Compared structures
- 4EP9 · CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site… · 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 4EP9 · PDBe 4EP9 · UniProt P18886
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