MolNFT v1 · #38617 · protein
Crystal structure of murine carnitine acetyltransferase in complex with carnitine and CoA
2H3U: “Crystal structure of murine carnitine acetyltransferase in complex with carnitine and CoA”. X-ray diffraction, 2 ligands (COA, 152), 12 pockets (best druggability 0.76). MolNFT v1 #38617 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2H3U
- Type
- protein
- Length
- 1,198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine acetyltransferase
- UniProt
- Q3V1Y3
- Ligands
- COA, 152
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carnitine acetyltransferase | protein | 599 | 46% helix, 15% strand | Q3V1Y3 |
Ligands and binding sites
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 | 779 | 0.76 | 0.80 | 73 | COA, 152 |
| 2 | 831 | 0.76 | 0.80 | 74 | COA, 152 |
| 3 | 194 | 0.57 | 0.80 | 27 | empty |
| 4 | 192 | 0.54 | 0.79 | 24 | empty |
| 5 | 95 | 0.52 | 0.83 | 22 | empty |
Compared structures
- 2H3U · Crystal structure of murine carnitine acetyltransferase in complex with carnitine and CoA · the same entry in another collection · 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 Q3V1Y3
- Elsewhere: RCSB PDB 2H3U · PDBe 2H3U · UniProt Q3V1Y3
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