Structure of PDB 8aj4 Chain AAA Binding Site BS03

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 205 [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)		N65 G67 T69 P70 N74
Binding residue
(residue number reindexed from 1)		N65 G67 T69 P70 N74
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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