Structure of PDB 1c3s Chain A Binding Site BS01

Receptor Information
>1c3s Chain A (length=372) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVKLIGTLDYGKYRYPKNHPLKIPRVSLLLRFKDAMNLIDEKELIKSRP
ATKEELLLFHTEDYINTLMEAERSQSVPKGAREKYNIGGYENPVSYAMFT
GSSLATGSTVQAIEEFLKGNVAFNPAGGMHHAFKSRANGFCYINNPAVGI
EYLRKKGFKRILYIDLDAHHCDGVQEAFYDTDQVFVLSLHQSPEYAFPFE
KGFLEEIGEGKGKGYNLNIPLPKGLNDNEFLFALEKSLEIVKEVFEPEVY
LLQLGTDPLLEDYLSKFNLSNVAFLKAFNIVREVFGEGVYLGGGGYHPYA
LARAWTLIWCELSGREVPEKLNNKAKELLKSIDFEEFDDEVDRSYMLETL
KDPWRGGEVRKEVKDTLEKAKA
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 chain1c3s Chain A Residue 951 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c3s Structures of a histone deacetylase homologue bound to the TSA and SAHA inhibitors.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D168 H170 D258
Binding residue
(residue number reindexed from 1)		D167 H169 D257
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity
GO:0046872 metal ion binding
Biological Process
GO:0040029 epigenetic regulation of gene expression
GO:0045149 acetoin metabolic process
GO:0045150 acetoin catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1c3s, PDBe:1c3s, PDBj:1c3s
PDBsum1c3s
PubMed10490031
UniProtO67135

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