MolNFT v1 · #15724 · protein
Carnitine acetyltransferase in complex with CoA
1NDI: “Carnitine acetyltransferase in complex with CoA”. X-ray diffraction, 1 ligand (COA), 14 pockets (best druggability 0.79). MolNFT v1 #15724 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NDI
- 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
- COA
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carnitine acetyltransferase (EC 2.3.1.7) | protein | 596 | 43% helix, 15% strand | P47934 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.79 | 0.81 | 73 | empty |
| 2 | 947 | 0.78 | 0.80 | 85 | COA |
| 3 | 890 | 0.77 | 0.80 | 75 | COA |
| 4 | 180 | 0.55 | 0.80 | 31 | empty |
| 5 | 125 | 0.51 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 742 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 1NDI · PDBe 1NDI · UniProt P47934
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