Research workbench
Diaminobutyrate acetyltransferase ecta from paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (dab) and coenzyme a
Analyse Diaminobutyrate acetyltransferase ecta from paenibacillus lautus in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SLL
- Type
- protein
- Length
- 330 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-2,4-diaminobutyric acid acetyltransferase
- EC
- 2.3.1.178
- UniProt
- D3EKC1
- Ligands
- COA, DAB, MG
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-2,4-diaminobutyric acid acetyltransferase (EC 2.3.1.178) | protein | 164 | 37% helix, 27% strand | D3EKC1 |
| B | L-2,4-diaminobutyric acid acetyltransferase (EC 2.3.1.178) | protein | 166 | 37% helix, 27% strand | D3EKC1 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- DAB · 2,4-diaminobutyric acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 316 | 0.65 | 0.81 | 35 | COA, DAB |
| 2 | 253 | 0.64 | 0.82 | 38 | COA, DAB |
| 3 | 129 | 0.46 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1606 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6SLL · Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its… · 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 D3EKC1
- Elsewhere: RCSB PDB 6SLL · PDBe 6SLL · UniProt D3EKC1
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