Structure of PDB 8pfx Chain A Binding Site BS01

Receptor Information
>8pfx Chain A (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 IDYJT
InChIInChI=1S/C13H10F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2-1(3)4;;;;/h1-8H,9H2;(H2,2,3,4);2*1H2;;/q-2;;;;2*+3/p-4
InChIKeyMTQUSIMNYQTHAA-UHFFFAOYSA-J
SMILES
SoftwareSMILES
CACTVS 3.385O[Ru@]12OC(=O)O[Ru@@]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4
CACTVS 3.385O[Ru]12OC(=O)O[Ru]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4
OpenEye OEToolkits 2.0.7c1cc(ccc1N2CN([Ru]3([Ru]2(OC(=O)O3)O)O)c4ccc(cc4)F)F
FormulaC14 H12 F2 N2 O5 Ru2
Name6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one
ChEMBL
DrugBank
ZINC
PDB chain8pfx Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pfx Charge effect in protein metalation reactions by diruthenium complexes
Resolution1.03 Å
Binding residue
(original residue number in PDB)		W62 W63 R73 D101
Binding residue
(residue number reindexed from 1)		W62 W63 R73 D101
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:8pfx, PDBe:8pfx, PDBj:8pfx
PDBsum8pfx
PubMed
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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