Structure of PDB 8qcu Chain A Binding Site BS01

Receptor Information

>8qcu Chain A (length=129) Species: 9031 (Gallus gallus)

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGS
TDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVS
DGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Ligand information

• Ligand ID: VHL
• InChI: InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h2*1-3H;;;;/q2*-1;;;;+3
• InChIKey: MWUHNOZKPZGOSW-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: [C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2
  OpenEye OEToolkits 2.0.7: c1cn(cn1)[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])n2ccnc2
• Formula: C9 H6 N4 O3 Re
• Name: Tricarbonyl di(imidazole) rhenium(I);
  di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)
• PDB chain: 8qcu Chain A Residue 206

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qcu Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development.
• Resolution: 1.15 Å
• Binding residue (original residue number in PDB): W62 W63 L75 D101
• Binding residue (residue number reindexed from 1): W62 W63 L75 D101
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.17: lysozyme.

Gene Ontology

Molecular Function

• GO:0003796 lysozyme activity
• GO:0005515 protein binding
• GO:0016231 beta-N-acetylglucosaminidase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0042802 identical protein binding

Biological Process

• GO:0016998 cell wall macromolecule catabolic process
• GO:0031640 killing of cells of another organism
• GO:0042742 defense response to bacterium
• GO:0050829 defense response to Gram-negative bacterium
• GO:0050830 defense response to Gram-positive bacterium

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005737 cytoplasm
• GO:0005783 endoplasmic reticulum

External links

• PDB: RCSB:8qcu, PDBe:8qcu, PDBj:8qcu
• PDBsum: 8qcu
• PubMed: 38639558
• UniProt: P00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)