Structure of PDB 8he4 Chain A Binding Site BS01

Receptor Information
>8he4 Chain A (length=225) Species: 168172 (Puccinia striiformis f. sp. tritici) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPVYDTCTVPGSFALTFDDGPYGFSTRLDSTLNAANAKGSFFINGQNWGC
IYDYADVLLERFNNGHFIASHTWSHVHMNQGTYEQLSHQLELVEQAMIRI
LGVKPLYMRPPYGEYNDVVLQVLRDRGYKGLIMWNQDSGDTFTPTPSSAQ
IIDSYRSFPEKTISLNHEIKDFTVDQVIPAVIPILQQKGFSLQTVPECLG
LSSDPADWYVRVQEPGTRDDSWTCE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8he4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8he4 Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		D59 H111 H115
Binding residue
(residue number reindexed from 1)		D19 H71 H75
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.41: chitin deacetylase.
Gene Ontology
Molecular Function
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8he4, PDBe:8he4, PDBj:8he4
PDBsum8he4
PubMed37385996
UniProtA0A2S4W2W0

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