Brand  (β version)

PDB ID: 4BVF

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4BVF   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/LIGASE
Title : CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527
Release Data : 2013-07-17
Compound :
mol_id molecule chains synonym
1 NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL A SIRT3, HSIRT3, REGULATORY PROTEIN SIR2 HOMOLOG 3, SIR2-LIKE PROTEIN 3
ec: 3.5.1.-
fragment: RESIDUES 116-399'
mol_id molecule chains synonym
2 ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL B THIO-ACETYL-LYSINE ACS2-PEPTIDE, ACETATE--COA LIGASE 2, ACET ACECS2, ACYL-COA SYNTHETASE SHORT-CHAIN FAMILY MEMBER 1
ec: 6.2.1.1
fragment: RESIDUES 638-647
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: ROSETTA2
expression_system_vector_type: PLASMID
expression_system_plasmid: PVFT3S
mol_id organism_scientific organism_common
2 HOMO SAPIENS  (taxid:9606) HUMAN
synthetic: yes
Authors : Gertz, M., Weyand, M., Steegborn, C.
Keywords : HYDROLASE-LIGASE COMPLEX, THIO-INTERMEDIATE, HYDROLASE-HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.70 Å )
Citation :

Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism

Gertz, M.,Fischer, F.,Nguyen, G.T.T.  et al.
(2013)  Proc.Natl.Acad.Sci.USA  110 : E2772

PubMed: 23840057
DOI: 10.1073/PNAS.1303628110

Reaction

Chain : A
UniProt : Q9NTG7 (SIR3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
N(6)-acetyl-L-lysyl-[protein] + NAD(+) + H2O = 2''-O-acetyl- ADP-D-ribose + nicotinamide + L-lysyl-[protein] 2.3.1.286 PROSITE-ProRule:PRU00236, PubMed:12186850, PubMed:12374852, PubMed:16788062, PubMed:18680753, PubMed:18794531, PubMed:19535340, PubMed:24121500, PubMed:23283301
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N(6)-[(S)-lactoyl]-L-lysyl-[protein] + NAD(+) + H2O = 2''-O- (S)-lactoyl-ADP-D-ribose + nicotinamide + L-lysyl-[protein] - PubMed:36896611, PubMed:37720100
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Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:19535340
ECO:0000269 | PubMed:23897466
ECO:0000269 | PubMed:36896611
ECO:0000269 | PubMed:37720100
Binds 1 zinc ion per subunit.
Chain : B
UniProt : Q9NUB1 (ACS2L_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
acetate + ATP + CoA = acetyl-CoA + AMP + diphosphate 6.2.1.1 PubMed:16788062
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propanoate + ATP + CoA = propanoyl-CoA + AMP + diphosphate 6.2.1.17 UniProtKB:Q99NB1
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