Structure of PDB 8aj4 Chain AAA Binding Site BS01

Receptor Information
>8aj4 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 IDMKO
InChIInChI=1S/2C6H6O3.2O.V/c2*1-4-6(8)5(7)2-3-9-4;;;/h2*2-3H,1H3,(H-,7,8);;;/q;;2*-1;+4/p-2
InChIKeyKTNYRVZCCOTYPZ-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.385Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12
OpenEye OEToolkits 2.0.7Cc1c2c(cc[o+]1)O[V]3(O2)(Oc4cc[o+]c(c4O3)C)([O-])[O-]
FormulaC12 H10 O8 V
Name8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]
ChEMBL
DrugBank
ZINC
PDB chain8aj4 Chain AAA Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8aj4 Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Resolution1.22 Å
Binding residue
(original residue number in PDB)		G4 R5 C6
Binding residue
(residue number reindexed from 1)		G4 R5 C6
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:8aj4, PDBe:8aj4, PDBj:8aj4
PDBsum8aj4
PubMed36205235
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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