Structure of PDB 4nhq Chain A Binding Site BS01

Receptor Information

>4nhq Chain A (length=129) Species: 9031 (Gallus gallus)

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGS
TDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVS
DGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Ligand information

• Ligand ID: 2T8
• InChI: InChI=1S/CO.4ClH.Ir.O/c1-2;;;;;;/h;4*1H;;/q+1;;;;;+4;-1/p-4
• InChIKey: OTOHNVZCVDSLDT-UHFFFAOYSA-J
• SMILES:
  OpenEye OEToolkits 1.7.6: C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl
  ACDLabs 12.01
  CACTVS 3.385: [O-][Ir](Cl)(Cl)(Cl)(Cl)C#[O+]
• Formula: C Cl4 Ir O2
• Name: carbonyl(tetrachloro)oxidoiridium
• PDB chain: 4nhq Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4nhq Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): S24 V120 Q121
• Binding residue (residue number reindexed from 1): S24 V120 Q121
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E35 N46 D48 S50 D52 N59
• Catalytic site (residue number reindexed from 1): E35 N46 D48 S50 D52 N59
• 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:4nhq, PDBe:4nhq, PDBj:4nhq
• PDBsum: 4nhq
• PubMed: 25215611
• UniProt: P00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)