SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD
4BUZ
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 30344.41
    Molecule: NAD-DEPENDENT PROTEIN DEACETYLASE
    Polymer: 1 Type: protein Length: 246
    Chains: A
    EC#: 3.5.1   
    Organism: Thermotoga maritima
    Gene Names: cobB sir2 TM_0490
    UniProtKB: Protein Feature View | Search PDB | Q9WYW0  
    Molecule: CELLULAR TUMOR ANTIGEN P53
    Polymer: 2 Type: protein Length: 8
    Chains: P
    Fragment: RESIDUES 379-386
    Details: ACETYLATED P53 LYS-382
    Organism: Homo sapiens
    Gene Names: Gene View for TP53 P53
    UniProtKB: Protein Feature View | Search PDB | P04637  
     
  •   Structure Validation Hide

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  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Thermotoga maritima   Taxonomy   Expression System: Escherichia coli  
    Polymer: 2
    Scientific Name: Synthetic construct (Homo sapiens)   Taxonomy    
     
  •   Related PDB Entries Hide
    Identifier Details
    4BV2   CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 
    4BV3   CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH EX-527 AND NAD 
    4BVB   CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE 
    4BVE   CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2- PEPTIDE 
    4BVF   CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2- PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX- 527 
    4BVG   CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2- PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX- 527 
    4BVH   CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    EDO
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    EDO C2 H6 O2
    1,2-ETHANEDIOL
    NAD
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    NAD C21 H27 N7 O14 P2
    NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    NAD:4BUZ
    OAD
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    OAD C17 H25 N5 O15 P2
    2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE
    OAD:4BUZ
    OCZ
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    OCZ C13 H13 Cl N2 O
    (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole- 1- carboxamide
    OCZ:4BUZ
    ZN
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    ZN Zn
    ZINC ION
     
  •   Modified Residues Hide
    Identifier Formula Parent Type
    ALY
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    ALY C8 H16 N2 O3 LYS lPeptideLinking
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
  Biological Assembly       
Biological assembly 1 assigned by authors and generated by PISA (software)
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