MolNFT v1 · #50252 · protein
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with R-3-(hexadecanoylamino)-4-(TRIMETHYLAZANIUMYL)BUTANOATE
2RCU · Carnitine O-palmitoyltransferase 2: “Crystal structure of rat carnitine palmitoyltransferase 2 in complex with…”. X-ray diffraction, 1 ligand (BUJ), 12 pockets (best druggability 0.81). MolNFT v1 #50252 on GenesisL1: 3D structure…
- PDB
- 2RCU
- Type
- protein
- Length
- 1,253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine O-palmitoyltransferase 2
- EC
- 2.3.1.21
- UniProt
- P18886
- Ligands
- BUJ
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine O-palmitoyltransferase 2 (EC 2.3.1.21) | protein | 627 | 47% helix, 14% strand | P18886 |
| B | Carnitine O-palmitoyltransferase 2 (EC 2.3.1.21) | protein | 626 | 47% helix, 15% strand | P18886 |
Ligands and binding sites
- BUJ · (3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate · ligand · 2 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 969 | 0.81 | 0.83 | 98 | BUJ |
| 2 | 1149 | 0.79 | 0.80 | 106 | BUJ |
| 3 | 53 | 0.55 | 0.90 | 16 | empty |
| 4 | 248 | 0.55 | 0.77 | 40 | empty |
| 5 | 316 | 0.53 | 0.74 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 431 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2RCU · 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 2RCU · PDBe 2RCU · UniProt P18886
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