Structure of PDB 1q14 Chain A Binding Site BS01

Receptor Information
>1q14 Chain A (length=289) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMASMSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGLARLKL
PYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLK
RVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKSKLA
EHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKQQPL
VIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETVGDFKANKRPTDLIVHQ
YSDEFAEQLVEELGWQEDFEKILTAQKEQLLEIVHDLEN
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 chain1q14 Chain A Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1q14 Structure and autoregulation of the Yeast Hst2 homolog of Sir2
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C143 C146 C170 C173
Binding residue
(residue number reindexed from 1)		C133 C136 C160 C163
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N116 D118 H135
Catalytic site (residue number reindexed from 1) N106 D108 H125
Enzyme Commision number 2.3.1.286: protein acetyllysine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0017136 NAD-dependent histone deacetylase activity
GO:0034979 NAD-dependent protein lysine deacetylase activity
GO:0046872 metal ion binding
GO:0046970 NAD-dependent histone H4K16 deacetylase activity
GO:0051287 NAD binding
GO:0070403 NAD+ binding
Biological Process
GO:0000183 rDNA heterochromatin formation
GO:0031507 heterochromatin formation
GO:0045950 negative regulation of mitotic recombination
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1q14, PDBe:1q14, PDBj:1q14
PDBsum1q14
PubMed14502267
UniProtP53686|HST2_YEAST NAD-dependent protein deacetylase HST2 (Gene Name=HST2)

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