Structure of PDB 7wjl Chain A Binding Site BS01

Receptor Information
>7wjl Chain A (length=453) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQIPESAKAVVVLSPYSLQHVFPREWVTKSYRKTIVERPERLLASSMGIS
AAITMYPSLFTLKSSHQRKGSLMAPHVLKVHGSSWPAELIELCQMADAKL
LKGEIEVPDTWNSGDIYLSSKTIKALQGTIGAIETGVDSIFKGPSAEHIS
NRAFVAIRPPGHHCHYGTPSGFCLLNNAHVAIEYAYDTYNVTHVVVLDFD
LHHGDGTQDICWKRAGFKPEEEPEDSSYDDFGKKFAEFPKVGYFSMHDIN
SFPTESGFATKENIKNASTCIMNSHDLNIWNIHLSKWTTEEEFNVLYRTK
YRTLFAKADEFFRSAKLEMNQQGRPFKGLVVISAGFDASEFEQTHSVNVP
TSFYTTFTKDALKLAQMHCHGKVLSLMEGGYSDKAICSGVFAHLIGLQNQ
DWVKEWGSEQVVKEIVRGCKPAWKPYDVIRIWAEEVIRLGRAMIPEFDDI
IFK
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 chain7wjl Chain A Residue 601 [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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PDB7wjl Structural characterization of fungus-specific histone deacetylase Hos3 provides insights into developing selective inhibitors with antifungal activity.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H195 D233 H235
Binding residue
(residue number reindexed from 1)		H162 D200 H202
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.98: histone deacetylase.
External links
PDB RCSB:7wjl, PDBe:7wjl, PDBj:7wjl
PDBsum7wjl
PubMed35623387
UniProtQ02959|HOS3_YEAST Histone deacetylase HOS3 (Gene Name=HOS3)

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