Crystal structure of arabidopsis ACS7 in complex with ppg

Structure

x-ray diffraction · 4 distinct chains · 48% helix, 15% strand (DSSP).

Ligands and binding sites

• PPG · (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid · ligand · 4 copies · chains A, B, C, D
• SO4 · Sulfate ion · ion · chains A

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

Pockets

13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• C–D · 3412 Ų buried · 55 hydrogen bonds · protein-protein
• A–B · 3321 Ų buried · 53 hydrogen bonds · protein-protein
• B–C · 586 Ų buried · 6 hydrogen bonds · protein-protein
• B–D · 151 Ų buried · 0 hydrogen bonds · protein-protein
• A–C · 149 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 7DLW · Crystal structure of Arabidopsis ACS7 in complex with PPG · the same entry in another collection · chain D against D, TM-score 1.00
• Q9STR4 · AlphaFold monomer V2.0 prediction for 1-aminocyclopropane-1-carboxylate synthase 7… · 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 Q9STR4
• Elsewhere: RCSB PDB 7DLW · PDBe 7DLW · UniProt Q9STR4