MolNFT v1 · #22521 · protein
Crystal structure of the M564G mutant of murine carnitine acetyltransferase in complex with carnitine
1T7O: “Crystal structure of the M564G mutant of murine carnitine acetyltransferase in complex with carnitine”. X-ray diffraction, 1 ligand (152), 5 pockets (best druggability 0.77). MolNFT v1 #22521 on GenesisL1: 3D structure, binding…
- PDB
- 1T7O
- Type
- protein
- Length
- 599 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine acetyltransferase
- EC
- 2.3.1.7
- UniProt
- P47934
- Ligands
- 152
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine acetyltransferase (EC 2.3.1.7) | protein | 599 | 45% helix, 15% strand | P47934 |
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
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.77 | 0.80 | 79 | 152 |
| 2 | 204 | 0.57 | 0.80 | 27 | empty |
| 3 | 126 | 0.50 | 0.80 | 20 | empty |
| 4 | 78 | 0.47 | 0.82 | 16 | empty |
| 5 | 57 | 0.32 | 0.77 | 13 | empty |
Compared structures
- 1T7O · Crystal structure of the M564G mutant of murine carnitine acetyltransferase in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P47934 · AlphaFold monomer V2.0 prediction for carnitine O-acetyltransferase (P47934) · 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 P47934
- Elsewhere: RCSB PDB 1T7O · PDBe 1T7O · UniProt P47934
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