Structure of PDB 5g3w Chain A Binding Site BS01

Receptor Information
>5g3w Chain A (length=369) Species: 517 (Bordetella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAIGYVWNTLYGWVDTGTGSLAAANLTARMQPISHHLAHPDTKRRFHELV
CASGQIEHLTPIAAVAATDADILRAHSAAHLENMKRVSNLPTGGDTGDGI
TMMGNGGLEIARLSAGGAVELTRRVATGELSAGYALVNPPGHHAPHNAAM
GFCIFNNTSVAAGYARAVLGMERVAILDWDVHHGNGTQDIWWNDPSVLTI
SLHQHLCFPPDSGYSTERGAGNGHGYNINVPLPPGSGNAAYLHAMDQVVL
PALRAYRPQLIIVGSGFDASMLDPLARMMVTADGFRQMARRTIDCAADIC
DGRIVFVQEGGYSPHYLPFCGLAVIEELTGVRSLPDPYHEFLAGMGGNTL
LDAERAAIEEIVPLLADIR
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 chain5g3w Chain A Residue 370 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g3w Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
Resolution1.6 Å
Binding residue
(original residue number in PDB)
D180 H182 D268
Binding residue
(residue number reindexed from 1)
D180 H182 D268
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.-
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006338 chromatin remodeling

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Molecular Function

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Biological Process
External links
PDB RCSB:5g3w, PDBe:5g3w, PDBj:5g3w
PDBsum5g3w
PubMed27756124
UniProtQ70I53|HDAH_ALCSD Histone deacetylase-like amidohydrolase (Gene Name=hdaH)

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