Crystal structure of the human mitochondrial cysteine desulfurase in complex with ISD11 and E. COLI ACP1 protein at 2.75A

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 12% strand (DSSP).

Ligands and binding sites

• PLP · Pyridoxal-5'-phosphate · ligand · chains A
• 8Q1 · S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate · ligand · chains A, B, C

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

Pockets

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

Interfaces

2 interfaces between chains.

• A–B · 704 Ų buried · 13 hydrogen bonds · protein-protein
• B–C · 449 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor, 1 covalent (pyridoxal phosphate Schiff base, covalent ligand).

Compared structures

• 5WGB · Crystal Structure of the Human mitochondrial Cysteine Desulfurase in complex with ISD11… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Y697 · AlphaFold monomer V2.0 prediction for cysteine desulfurase, mitochondrial (Q9Y697) · a predicted model of the same protein · chain A against A, TM-score 0.97
• B7MJ81 · AlphaFold monomer V2.0 prediction for acyl carrier protein (B7MJ81) · a predicted model of the same protein · chain C against A, TM-score 0.93
• 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 0.92

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 Q9Y697
• Every structure of UniProt Q9HD34
• Every structure of UniProt B7MJ81
• Elsewhere: RCSB PDB 5WGB · PDBe 5WGB · UniProt Q9Y697 · UniProt Q9HD34 · UniProt B7MJ81