MolNFT v1 · #15721 · protein
Carnitine acetyltransferase in complex with carnitine
1NDF: “Carnitine acetyltransferase in complex with carnitine”. X-ray diffraction, 1 ligand (152), 12 pockets (best druggability 0.77). MolNFT v1 #15721 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NDF
- Type
- protein
- Length
- 1,192 residues
- Chains
- 2
- 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
- 12 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carnitine acetyltransferase (EC 2.3.1.7) | protein | 596 | 45% helix, 15% strand | P47934 |
Ligands and binding sites
- 152 · Carnitine · ligand · 2 copies · chains A, B
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 | 872 | 0.77 | 0.80 | 81 | 152 |
| 2 | 1068 | 0.77 | 0.79 | 63 | empty |
| 3 | 829 | 0.76 | 0.79 | 80 | 152 |
| 4 | 206 | 0.54 | 0.78 | 30 | empty |
| 5 | 188 | 0.53 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 722 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
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 1NDF · PDBe 1NDF · UniProt P47934
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