Structure of PDB 8bbk Chain B Binding Site BS02

Receptor Information
>8bbk Chain B (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQ
YDLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKG
LLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRA
DVMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGT
SLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGV
ESLVELLGWTEEMRDLVQRETGKL
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 chain8bbk Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bbk Molecular Mechanism of Sirtuin 1 Modulation by the AROS Protein.
Resolution3.27 Å
Binding residue
(original residue number in PDB)		C256 C259 C280
Binding residue
(residue number reindexed from 1)		C136 C139 C160
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.286: protein acetyllysine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0017136 NAD-dependent histone deacetylase activity
GO:0019899 enzyme binding
GO:0034979 NAD-dependent protein lysine deacetylase activity
GO:0043565 sequence-specific DNA binding
GO:0046872 metal ion binding
GO:0070403 NAD+ binding
GO:1990404 NAD+-protein ADP-ribosyltransferase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006476 protein deacetylation
GO:0009060 aerobic respiration
GO:0032024 positive regulation of insulin secretion
GO:0034983 peptidyl-lysine deacetylation
GO:0070373 negative regulation of ERK1 and ERK2 cascade
GO:1901671 positive regulation of superoxide dismutase activity
GO:1902553 positive regulation of catalase activity
GO:2000304 positive regulation of ceramide biosynthetic process
GO:2000378 negative regulation of reactive oxygen species metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bbk, PDBe:8bbk, PDBj:8bbk
PDBsum8bbk
PubMed36361557
UniProtQ9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)

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