Streptomyces bingchenggensis acetoacetate decarboxylase in non- covalent complex with potassium formate

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 50% strand (DSSP).

Ligands and binding sites

• ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · chains A, B, C
• FMT · Formic acid · additive · 11 copies · chains A, D, B, C
• PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B, C, D
• PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• A–C · 2700 Ų buried · 30 hydrogen bonds · protein-protein
• B–D · 2667 Ų buried · 33 hydrogen bonds · protein-protein
• A–D · 1684 Ų buried · 30 hydrogen bonds · protein-protein
• B–C · 1672 Ų buried · 26 hydrogen bonds · protein-protein
• A–B · 273 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

• 4ZBO · Streptomyces bingchenggensis acetoacetate decarboxylase in non-covalent complex with… · 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 D7C0E5
• Elsewhere: RCSB PDB 4ZBO · PDBe 4ZBO · UniProt D7C0E5