Structure of PDB 4uu8 Chain A Binding Site BS03

Receptor Information
>4uu8 Chain A (length=262) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLTAFREHFAKAKHIAIITGAGVSAESGVPTFRGPGGFWRKWQAQDLATP
EAFSRDPSLVWEFYHYRREVMRSKMPNPAHLAIAECEARLGQQGRSVVII
TQNIDELHHRAGSKHVYEIHGSLFKTRCMSCGEVKANHKSPICPALDGKG
APDPNTKEARIPVELLPRCERKSCNGLLRPHVVWFGETLDSDILTAVERE
LEKCDLCLVVGTSSIVYPAAMFAPQVASRGVPVAEFNMECTPATQKYHFE
GPCGSTLPPALE
Ligand information
Ligand IDWOC
InChIInChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGOHPTLYPQCTZSE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(C)(C)CC(=O)O
CACTVS 3.385CC(C)(CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)(CC(=O)O)C(=O)O
FormulaC6 H10 O4
Name2,2-dimethylbutanedioic acid
ChEMBLCHEMBL3186607
DrugBank
ZINCZINC000000388596
PDB chain4uu8 Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uu8 Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y98 R101
Binding residue
(residue number reindexed from 1)		Y64 R67
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P64 T65 F66 R67 N137 D139 H154
Catalytic site (residue number reindexed from 1) P30 T31 F32 R33 N103 D105 H120
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0036054 protein-malonyllysine demalonylase activity
GO:0036055 protein-succinyllysine desuccinylase activity
GO:0070403 NAD+ binding

View graph for
Molecular Function
External links
PDB RCSB:4uu8, PDBe:4uu8, PDBj:4uu8
PDBsum4uu8
PubMed25111069
UniProtQ6DHI5|SIR5_DANRE NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=sirt5)

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