Structure of PDB 8bpu Chain AAA Binding Site BS01

Receptor Information
>8bpu 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 IDR2I
InChIInChI=1S/C13H10F2N2.2CH2O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*2-1-3;;/h1-8H,9H2;2*1H2;;/q3*-2;2*+3
InChIKeyTVQMJLRZOPYFSZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)N2CN(c3ccc(F)cc3)[Ru]45OCO[Ru]24OCO5
OpenEye OEToolkits 3.1.0.0c1cc(ccc1N2CN([Ru]34[Ru]2(OCO3)OCO4)c5ccc(cc5)F)F
FormulaC15 H14 F2 N2 O4 Ru2
Name9,11-bis(4-fluorophenyl)-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 chain8bpu Chain AAA Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8bpu Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		W62 W63 L75 D101
Binding residue
(residue number reindexed from 1)		W62 W63 L75 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bpu, PDBe:8bpu, PDBj:8bpu
PDBsum8bpu
PubMed36597851
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

[Back to BioLiP]