The structure of the 2:2 (fully occupied) complex between stearoyl acyl carrier protein desaturase from ricinus communis (castor bean) and acyl carrier protein.

Structure

x-ray diffraction · 3 distinct chains · 66% helix, 2% strand (DSSP).

Ligands and binding sites

• PNY · (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide · ligand · chains B, C
• FE · Fe (III) ion · metal · 4 copies · chains A, B
• CA · Calcium ion · metal · 2 copies · chains A, B
• CAC · Cacodylate ion · additive · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–B · 2957 Ų buried · 52 hydrogen bonds · protein-protein
• B–C · 513 Ų buried · 8 hydrogen bonds · protein-protein
• A–D · 450 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 covalent (phosphorylation, covalent ligand).

Compared structures

• 2XZ1 · The Structure of the 2:2 (Fully Occupied) Complex Between Stearoyl Acyl Carrier Protein… · the same entry in another collection · chain D against D, TM-score 1.00
• P22337 · AlphaFold monomer V2.0 prediction for stearoyl-[acyl-carrier-protein] 9-desaturase… · a predicted model of the same protein · chain B against A, TM-score 0.99
• P07854 · AlphaFold monomer V2.0 prediction for acyl carrier protein 1, chloroplastic (P07854) · a predicted model of the same protein · chain C against A, TM-score 0.93

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 P22337
• Every structure of UniProt P07854
• Elsewhere: RCSB PDB 2XZ1 · PDBe 2XZ1 · UniProt P22337 · UniProt P07854