Structure of PDB 8ph5 Chain AAA Binding Site BS01

Receptor Information
>8ph5 Chain AAA (length=129) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGS
TDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVS
DGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Ligand information
Ligand IDZJK
InChIInChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;;/h2*1-10H,11H2;1H2;1H2;;/q3*-2;;+3;+4/p-1
InChIKeyCVAAOOFKUNUXPY-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc5)c6ccccc6)OCO4)O)c7ccccc7
CACTVS 3.385O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6
FormulaC27 H27 N4 O3 Ru2
Name1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
ChEMBL
DrugBank
ZINC
PDB chain8ph5 Chain AAA Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ph5 Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Resolution1.29 Å
Binding residue
(original residue number in PDB)		W63 D101 G102 N103
Binding residue
(residue number reindexed from 1)		W63 D101 G102 N103
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ph5, PDBe:8ph5, PDBj:8ph5
PDBsum8ph5
PubMed37660867
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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