Structure of PDB 8pfv Chain AAA Binding Site BS01

Receptor Information
>8pfv 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 IDYMQ
InChIInChI=1S/C15H16N2O2.2C2H4O2.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*1-2(3)4;;/h3-10H,11H2,1-2H3;2*2H,1H3;;/q3*-2;2*+3
InChIKeyILDPKHMKTATIQB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[CH](C)O[Ru]24O[CH](C)O5
CACTVS 3.385COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[C@@H](C)O[Ru]24O[C@@H](C)O5
OpenEye OEToolkits 2.0.7CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)OC)c5ccc(cc5)OC
FormulaC19 H24 N2 O6 Ru2
Name9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
ChEMBL
DrugBank
ZINC
PDB chain8pfv Chain AAA Residue 209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pfv Charge effect in protein metalation reactions by diruthenium complexes
Resolution1.46 Å
Binding residue
(original residue number in PDB)		G117 D119
Binding residue
(residue number reindexed from 1)		G117 D119
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:8pfv, PDBe:8pfv, PDBj:8pfv
PDBsum8pfv
PubMed
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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