MolNFT v1 · #21303 · protein
Structural and mutational characterization of L-carnitine binding to human carnitine acetyltransferase
1S5O · Carnitine acetyltransferase isoform 2: “Structural and mutational characterization of L-carnitine binding to human carnitine acetyltransferase”. X-ray diffraction, 1 ligand (152), 6 pockets (best druggability 0.76). MolNFT v1 #21303…
- PDB
- 1S5O
- Type
- protein
- Length
- 591 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine acetyltransferase isoform 2
- EC
- 2.3.1.7
- UniProt
- P43155
- Ligands
- 152
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine acetyltransferase isoform 2 (EC 2.3.1.7) | protein | 591 | 45% helix, 16% strand | P43155 |
Ligands and binding sites
- 152 · Carnitine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 764 | 0.76 | 0.80 | 67 | 152 |
| 2 | 66 | 0.55 | 0.87 | 17 | empty |
| 3 | 114 | 0.43 | 0.77 | 20 | empty |
| 4 | 113 | 0.37 | 0.74 | 17 | empty |
| 5 | 77 | 0.36 | 0.76 | 15 | empty |
Compared structures
- 1S5O · Structural and Mutational Characterization of L-carnitine Binding to Human carnitine… · the same entry in another collection · chain A against A, TM-score 1.00
- P43155 · AlphaFold monomer V2.0 prediction for carnitine O-acetyltransferase (P43155) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P43155
- Elsewhere: RCSB PDB 1S5O · PDBe 1S5O · UniProt P43155
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