Structure of PDB 4twj Chain A Binding Site BS02

Receptor Information
>4twj Chain A (length=236) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEDEIRKAAEILAKSKHAVVFTGAGISAEPEEVASISGFKRNPRAFWEFS
MEMKDKLFAEPNPAHYAIAELERMGIVKAVITQNIDMLHQRAGSRRVLEL
HGSMDKLDCLDCHETYDWSEFVEDFNKGEIPRCRKCGSYYVKPRVVLFGE
PLPQRTLFEAIEEAKHCDAFMVVGSSLVVYPAAELPYIAKKAGAKMIIVN
AEPTMADPIFDVKIIGKAGEVLPKIVEEVKRLRSEK
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 chain4twj Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4twj Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		C126 C129 C150 C153
Binding residue
(residue number reindexed from 1)		C109 C112 C133 C136
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N101 D103 H118
Catalytic site (residue number reindexed from 1) N84 D86 H101
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:0036054 protein-malonyllysine demalonylase activity
GO:0036055 protein-succinyllysine desuccinylase activity
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0070403 NAD+ binding
Biological Process
GO:0006338 chromatin remodeling
GO:0006476 protein deacetylation
GO:0036049 peptidyl-lysine desuccinylation
Cellular Component
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:4twj, PDBe:4twj, PDBj:4twj
PDBsum4twj
PubMed25200501
UniProtO30124|NPD2_ARCFU NAD-dependent protein deacylase 2 (Gene Name=cobB2)

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