Structure of PDB 6hy8 Chain A Binding Site BS01

Receptor Information
>6hy8 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 IDGXW
InChIInChI=1S/Cu.2HO4P.17H2O.36O.17W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;2*5H;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+1/p-17
InChIKeyFJYYOMDTXNHMAS-UHFFFAOYSA-A
SMILES
SoftwareSMILES
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[W]78O[Cu]9%10O[W]%11%12O[W]%13%14O[W]%15%16O[W]1(O9)(O%11)O[W](O7)(O4)O[W]%17%18(O[PH]%19%20O[W]%21%22%23O[W]%24(O5)O[W](O2)(O%10)(O8)O[W](O3)(O%12)(O%24)O[W](O%19)(O%13)(O%21)O[W]%25%26(O%22)O[W]%27(O%14)(O%15)O[W](O[W](O6)(O%17)O%23)(O%18)(O%25)[O]%20%26%27)O%16
OpenEye OEToolkits 2.0.6[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[W]78O[Cu@@]9%10O[W]%11%12O[W]%13%14O[W]%15%16O[W]1(O9)(O%11)O[W](O7)(O4)O[W]%17%18(O[PH]%19%20O[W]%21%22%23O[W]%24(O5)O[W](O2)(O%10)(O8)O[W](O3)(O%12)(O%24)O[W](O%19)(O%13)(O%21)O[W]%25%26(O%22)O[W]%27(O%14)(O%15)O[W](O[W](O6)(O%17)O%23)(O%18)(O%25)[O]%20%26%27)O%16
FormulaCu H2 O61 P2 W17
NameCu(II)-substituted Wells-Dawson
ChEMBL
DrugBank
ZINC
PDB chain6hy8 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6hy8 Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme
Resolution1.22 Å
Binding residue
(original residue number in PDB)		R45 N46 T47
Binding residue
(residue number reindexed from 1)		R45 N46 T47
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E35 N46 D48 S50 D52 N59
Catalytic site (residue number reindexed from 1) E35 N46 D48 S50 D52 N59
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:6hy8, PDBe:6hy8, PDBj:6hy8
PDBsum6hy8
PubMed
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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