Crystal structure of the human complex acp-ISD11

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 0% strand (DSSP).

Ligands and binding sites

• 8Q1 · S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate · ligand · chains A, B
• CA · Calcium ion · metal · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 689 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 6ODD · Crystal structure of the human complex ACP-ISD11 · the same entry in another collection · chain A against A, TM-score 1.00
• O14561 · AlphaFold monomer V2.0 prediction for acyl carrier protein, mitochondrial (O14561) · a predicted model of the same protein · chain A against A, TM-score 0.97
• Q9HD34 · AlphaFold monomer V2.0 prediction for lyr motif-containing protein 4 (Q9HD34) · a predicted model of the same protein · chain B against A, TM-score 0.94

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 O14561
• Every structure of UniProt Q9HD34
• Elsewhere: RCSB PDB 6ODD · PDBe 6ODD · UniProt O14561 · UniProt Q9HD34