Structure of PDB 8pte Chain AAA Binding Site BS01

Receptor Information
>8pte 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 IDJQJ
InChIInChI=1S/26H2O.28O.20V/h26*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;18*+1;2*+4/p-26
InChIKeyYKPFHFIARSLXOW-UHFFFAOYSA-A
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O][V]1(O2[V]34(O[V]56(O[V]78(O1[V]91(O7[V]7%10(O8[V]8%11(O7[V]7%12(O8[V]8(O%115)(O6[V]5(O3)(O8[V]3(O7)(O5[V]56(O3[V](O3[V](O%12)(O%10)(O7[V]3(O5)(O3[V]7(O9)(O5[V]2(O1)(O4[V]53(O6)[O])[O])[O])[O])[O])([O])O[V]([O])([O])([O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[V]([O])([O])([O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]1O[V](O[V]2O[V]O2)O[V]3O[V]4O[V]5O[V]6O[V](O[V])O[V]7(O[V]8O[V]O[V](O6)O[V]9O[V](O9)O[V](O8)O[V](O1)(O3)O[V](O4)O7)O5
FormulaO54 V20
NamePolyoxidovanadate complex
ChEMBL
DrugBank
ZINC
PDB chain8pte Chain AAA Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pte Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2.
Resolution1.797 Å
Binding residue
(original residue number in PDB)		E7 A11 R14 H15 D87 T89
Binding residue
(residue number reindexed from 1)		E7 A11 R14 H15 D87 T89
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:8pte, PDBe:8pte, PDBj:8pte
PDBsum8pte
PubMed37768728
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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