MolNFT v1 · #172343 · protein
Crystal structure of the catalytic domain of corynebacterium glutamicum acetyltransferase acef (E2P) in complex with oxidized CoA.
6ZZJ · Dihydrolipoyllysine-residue acetyltransferase component of…: “Crystal structure of the catalytic domain of corynebacterium glutamicum acetyltransferase acef (E2P) in…”. X-ray diffraction, 1 ligand (CAO), 1 pocket (best druggability…
- PDB
- 6ZZJ
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
- EC
- 2.3.1.12
- UniProt
- Q8NNJ2
- Ligands
- CAO
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (EC 2.3.1.12) | protein | 240 | 39% helix, 24% strand | Q8NNJ2 |
Ligands and binding sites
- CAO · Oxidized coenzyme A · ligand · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 493 | 0.65 | 0.77 | 55 | CAO |
Compared structures
- 6ZZJ · Crystal structure of the catalytic domain of Corynebacterium glutamicum acetyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NNJ2 · AlphaFold monomer V2.0 prediction for dihydrolipoyllysine-residue acetyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q8NNJ2
- Elsewhere: RCSB PDB 6ZZJ · PDBe 6ZZJ · UniProt Q8NNJ2
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