Structure of PDB 4w96 Chain A Binding Site BS01

Receptor Information

>4w96 Chain A (length=129) Species: 9031 (Gallus gallus)

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGS
TDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVS
DGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Ligand information

• Ligand ID: RU1
• InChI: InChI=1S/2CO.Ru/c2*1-2;/q2*+1;+2
• InChIKey: HLYOBVRGNSSECA-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(#[O+])[Ru+2]C#[O+]
  CACTVS 3.385: [O+]#C[Ru++]C#[O+]
  ACDLabs 12.01: [O+]#C[Ru+2]C#[O+]
• Formula: C2 O2 Ru
• Name: bis(oxidaniumylidynemethyl)ruthenium(2+)
• PDB chain: 4w96 Chain A Residue 207

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4w96 Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): R14 H15
• Binding residue (residue number reindexed from 1): R14 H15
• 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:4w96, PDBe:4w96, PDBj:4w96
• PDBsum: 4w96
• PubMed: 25494847
• UniProt: P00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)