Structure of PDB 5ojo Chain A Binding Site BS04

Receptor Information
>5ojo Chain A (length=265) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLTAFREHFAKAKHIAIITGAGVSAESGVPTFRGPGGFWRKWQAQDLAT
PEAFSRDPSLVWEFYHYRREVMRSKMPNPAHLAIAECEARLGQQGRSVVI
ITQNIDELHHRAGSKHVYEIHGSLFKTRCMSCGEVKANHKSPICPALDGK
GAPDPNTKEARIPVELLPRCERKSCNGLLRPHVVWFGETLDSDILTAVER
ELEKCDLCLVVGTSSIVYPAAMFAPQVASRGVPVAEFNMECTPATQRFKY
HFEGPCGSTLPPALE
Ligand information
Ligand IDMAH
InChIInChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyNPOAOTPXWNWTSH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CC(=O)O)(CC(=O)O)O
CACTVS 3.341CC(O)(CC(O)=O)CC(O)=O
ACDLabs 10.04O=C(O)CC(O)(C)CC(=O)O
FormulaC6 H10 O5
Name3-HYDROXY-3-METHYL-GLUTARIC ACID
ChEMBLCHEMBL50444
DrugBankDB04377
ZINCZINC000000001669
PDB chain5ojo Chain C Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ojo Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		R101 F219
Binding residue
(residue number reindexed from 1)		R68 F186
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) P31 T32 F33 R34 N104 D106 H121
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:5ojo, PDBe:5ojo, PDBj:5ojo
PDBsum5ojo
PubMed29138502
UniProtQ6DHI5|SIR5_DANRE NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=sirt5)

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