MolNFT v1 · #172342 · protein
Crystal structure of the catalyic domain of corynebacterium glutamicum acetyltransferase acef (E2P).
6ZZI · Dihydrolipoyllysine-residue acetyltransferase component of…: “Crystal structure of the catalyic domain of corynebacterium glutamicum acetyltransferase acef (E2P).”. X-ray diffraction, 15 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 6ZZI
- Type
- protein
- Length
- 1,439 residues
- Chains
- 6
- 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
- Pockets
- 15 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (EC 2.3.1.12) | protein | 241 | 39% helix, 27% strand | Q8NNJ2 |
| B, E, F | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (EC 2.3.1.12) | protein | 239 | 39% helix, 26% strand | Q8NNJ2 |
| C | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (EC 2.3.1.12) | protein | 240 | 39% helix, 28% strand | Q8NNJ2 |
Pockets
15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.84 | 0.97 | 35 | empty |
| 2 | 217 | 0.83 | 0.96 | 32 | empty |
| 3 | 699 | 0.81 | 0.84 | 81 | empty |
| 4 | 660 | 0.80 | 0.84 | 77 | empty |
| 5 | 742 | 0.78 | 0.82 | 74 | empty |
Interfaces
7 interfaces between chains.
- E–F · 1691 Ų buried · 31 hydrogen bonds · protein-protein
- D–E · 1687 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 1669 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 1666 Ų buried · 29 hydrogen bonds · protein-protein
- D–F · 1661 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 6ZZI · Crystal structure of the catalyic domain of Corynebacterium glutamicum acetyltransferase… · the same entry in another collection · chain D against D, TM-score 1.00
- Q8NNJ2 · AlphaFold monomer V2.0 prediction for dihydrolipoyllysine-residue acetyltransferase… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 6ZZI · PDBe 6ZZI · UniProt Q8NNJ2
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