Structure of PDB 3u31 Chain A Binding Site BS03

Receptor Information
>3u31 Chain A (length=263) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKDTQSITLEELAKIIKKCKHVVALTGSGTSAESNIPSFRGSSNSIWSKY
DPRIYGTIWGFWKYPEKIWEVIRDISSDYEIEINNGHVALSTLESLGYLK
SVVTQNVDGLHEASGNTKVISLHGNVFEAVCCTCNKIVKLNKIMLQKTSH
FMHQLPPECPCGGIFKPNIILFGEVVSSDLLKEAEEEIAKCDLLLVIGTS
STVSTATNLCHFACKKKKKIVEINISKTYITNKMSDYHVCAKFSELTKVA
NILKGSSEKNKKI
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 chain3u31 Chain A Residue 276 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3u31 Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C140 C143 C168 C170
Binding residue
(residue number reindexed from 1)		C131 C134 C159 C161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P46 S47 F48 R49 N115 D117 H132
Catalytic site (residue number reindexed from 1) P37 S38 F39 R40 N106 D108 H123
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005515 protein 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:0070403 NAD+ binding
Biological Process
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0006476 protein deacetylation
GO:0016233 telomere capping
GO:0036049 peptidyl-lysine desuccinylation
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005677 chromatin silencing complex
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3u31, PDBe:3u31, PDBj:3u31
PDBsum3u31
PubMed21992006
UniProtQ8IE47|SIR2A_PLAF7 NAD-dependent protein deacylase Sir2A (Gene Name=Sir2A)

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