5mar

Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose.

Method: X-RAY DIFFRACTION D_max: 91.2 Å Quality: EXCELLENT

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1. Protein Identity and Related Structures Protein Identity & Related Structures

NAD-dependent protein deacetylase sirtuin-2

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 56–356	Not recorded	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 5 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；15-18 % PEG 10,000, 0.1M ammonium acetate, and 0.1M Bis-Tris pH 5.8	Resolution 1.89 Å R-free 0.194
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 56–356	Not recorded	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol × 1 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；15-18 % PEG 10,000, 0.1M ammonium acetate, and 0.1M Bis-Tris pH 5.8	Resolution 1.89 Å R-free 0.194

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 5MAR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1J8F HUMAN SIRT2 HISTONE DEACETYLASE Deposited 2001-05-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 34–356（323 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ethanol, bis-tris propane, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K	Resolution 1.70 Å R-free 0.260
1J8F HUMAN SIRT2 HISTONE DEACETYLASE Deposited 2001-05-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 34–356（323 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ethanol, bis-tris propane, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K	Resolution 1.70 Å R-free 0.260
1J8F HUMAN SIRT2 HISTONE DEACETYLASE Deposited 2001-05-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 34–356（323 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ethanol, bis-tris propane, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K	Resolution 1.70 Å R-free 0.260
3ZGO Re-refined structure of the human Sirt2 apoform Deposited 2012-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 34–356（323 aa）	Mutation：YES	ZN ZINC ION × 1 P6G HEXAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.63 Å R-free 0.195
3ZGO Re-refined structure of the human Sirt2 apoform Deposited 2012-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 34–356（323 aa）	Mutation：YES	ZN ZINC ION × 1 PGE TRIETHYLENE GLYCOL × 1 EOH ETHANOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.63 Å R-free 0.195
3ZGO Re-refined structure of the human Sirt2 apoform Deposited 2012-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 34–356（323 aa）	Mutation：YES	ZN ZINC ION × 1 PGE TRIETHYLENE GLYCOL × 5	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.63 Å R-free 0.195
3ZGV Structure of human SIRT2 in complex with ADP-ribose Deposited 2012-12-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 34–356（323 aa） Fragment：RESIDUES 34-356 Chain B 34–356（323 aa） Fragment：RESIDUES 34-356	Not recorded	ZN ZINC ION × 2 ACT ACETATE ION × 6 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 GOL GLYCEROL × 1 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；20% PEG 10 000, 100 MM AMMONIUM ACETATE, 100 MM BIS-TRIS PH 5.5	Resolution 2.27 Å R-free 0.188
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 Deposited 2013-06-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 55–356（302 aa） Fragment：UNP residues 55-356	Not recorded	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	Resolution 2.52 Å R-free 0.263
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 Deposited 2013-06-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 55–356（302 aa） Fragment：UNP residues 55-356	Not recorded	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	Resolution 2.52 Å R-free 0.263
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 Deposited 2013-06-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 55–356（302 aa） Fragment：UNP residues 55-356	Not recorded	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	Resolution 2.52 Å R-free 0.263
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 Deposited 2013-06-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 55–356（302 aa） Fragment：UNP residues 55-356	Not recorded	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	Resolution 2.52 Å R-free 0.263
4R8M Human SIRT2 crystal structure in complex with BHJH-TM1 Deposited 2014-09-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 38–356（319 aa） Fragment：rossmann fold, UNP residues 38-356	Not recorded	ZN ZINC ION × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25%(v/v) PEG3350, 0.1M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.10 Å R-free 0.273
4R8M Human SIRT2 crystal structure in complex with BHJH-TM1 Deposited 2014-09-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 38–356（319 aa） Fragment：rossmann fold, UNP residues 38-356	Not recorded	ZN ZINC ION × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25%(v/v) PEG3350, 0.1M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.10 Å R-free 0.273
4RMG Human Sirt2 in complex with SirReal2 and NAD+ Deposited 2014-10-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M KSCN, 30% (wt/vol) PEG MME 2,000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.88 Å R-free 0.247
4RMG Human Sirt2 in complex with SirReal2 and NAD+ Deposited 2014-10-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 2 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M KSCN, 30% (wt/vol) PEG MME 2,000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.88 Å R-free 0.247
4RMH Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide Deposited 2014-10-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP RESIDUES 56-356	Not recorded	ZN ZINC ION × 1 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；277 K；2.8 M ammonium sulfate, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.42 Å R-free 0.188
4RMI Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide Deposited 2014-10-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 3TK N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；25% (wt/vol) PEG 3,350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.45 Å R-free 0.282
4RMJ Human Sirt2 in complex with ADP ribose and nicotinamide Deposited 2014-10-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356 Chain B 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 NCA NICOTINAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 ZN ZINC ION × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.75；293 K；18% (wt/vol) PEG 10,000, pH 5.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.87 Å R-free 0.240
4X3O Sirt2 in complex with a myristoyl peptide Deposited 2014-12-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–355（304 aa） Fragment：UNP RESIDUES 52-355	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 3Y0 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；300 K；25% PEG 3350, 0.1M HEPES, 5% Glycerol	Resolution 1.50 Å R-free 0.157
4X3P Sirt2 in complex with a myristoyl peptide Deposited 2014-12-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–355（304 aa） Fragment：UNP RESIDUES 52-355	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；300 K；25% PEG 3350, 0.1M HEPES, 5% Glycerol	Resolution 1.80 Å R-free 0.173
4Y6L Human SIRT2 in complex with myristoylated peptide (H3K9myr) Deposited 2015-02-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–356（305 aa） Fragment：UNP RESIDUES 52-356	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	Resolution 1.60 Å R-free 0.232
4Y6L Human SIRT2 in complex with myristoylated peptide (H3K9myr) Deposited 2015-02-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 52–356（305 aa） Fragment：UNP RESIDUES 52-356	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	Resolution 1.60 Å R-free 0.232
4Y6O Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr) Deposited 2015-02-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–356（305 aa） Fragment：UNP RESIDUES 52-291, 304-356	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	Resolution 1.60 Å R-free 0.235
4Y6O Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr) Deposited 2015-02-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 52–356（305 aa） Fragment：UNP RESIDUES 52-291, 304-356	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	Resolution 1.60 Å R-free 0.235
4Y6Q Human SIRT2 in complex with 2-O-myristoyl-ADP-ribose Deposited 2015-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 52–356（305 aa） Fragment：UNP RESIDUES 52-291, 304-356 Chain B 52–356（305 aa） Fragment：UNP RESIDUES 52-291, 304-356 Chain C 52–356（305 aa） Fragment：UNP RESIDUES 52-291, 304-356 Chain D 52–356（305 aa） Fragment：UNP RESIDUES 52-291, 304-356	Not recorded	ZN ZINC ION × 4 OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 2000	Resolution 1.90 Å R-free 0.267
5D7O Crystal structure of Sirt2-ADPR at an improved resolution Deposited 2015-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 50–356（307 aa） Fragment：UNP residues 30-336 Chain B 50–356（307 aa） Fragment：UNP residues 30-336	Not recorded	ZN ZINC ION × 2 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.25；277 K；0.2 M sodium chloride, 30 % (w/v) PEG 3350, 0.1 M Bis-Tris	Resolution 1.63 Å R-free 0.191
5D7P Crystal structure of human Sirt2 in complex with ADPR and EX-243 Deposited 2015-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356 Chain B 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 2 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 OCZ (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide × 4 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.75；293 K；18 % (w/v) PEG 10000, 0.1 M Bis-Tris	Resolution 1.76 Å R-free 0.224
5D7Q Crystal structure of human Sirt2 in complex with ADPR and CHIC35 Deposited 2015-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 36–336（301 aa） Fragment：UNP residues 56-356 Chain B 36–336（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 2 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 4I5 (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.75；293 K；18 % (w/v) PEG 10000, 0.1 M Bis-Tris	Resolution 2.01 Å R-free 0.225
5DY4 Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ Deposited 2015-09-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：residues 56-356	Not recorded	ZN ZINC ION × 2 5GN N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；278 K；27 % PEG 3350	Resolution 1.77 Å R-free 0.213
5DY4 Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ Deposited 2015-09-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：residues 56-356	Not recorded	ZN ZINC ION × 1 5GN N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；278 K；27 % PEG 3350	Resolution 1.77 Å R-free 0.213
5DY5 Crystal structure of human Sirt2 in complex with a SirReal probe fragment Deposited 2015-09-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 2 5GR N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 2 EDO 1,2-ETHANEDIOL × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 BU3 (R,R)-2,3-BUTANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；17.5 % (wt/v) PEG 3350, 0.1 M HEPES	Resolution 1.95 Å R-free 0.205
5DY5 Crystal structure of human Sirt2 in complex with a SirReal probe fragment Deposited 2015-09-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 5GR N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 1 EDO 1,2-ETHANEDIOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；17.5 % (wt/v) PEG 3350, 0.1 M HEPES	Resolution 1.95 Å R-free 0.205
5FYQ Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide Deposited 2016-03-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–356（356 aa） Fragment：50-356	Not recorded	SO4 SULFATE ION × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；0.1 M HEPES PH 7.5 2.0M NH4SO4	Resolution 3.00 Å R-free 0.271
5FYQ Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide Deposited 2016-03-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–356（356 aa） Fragment：50-356	Not recorded	SO4 SULFATE ION × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；0.1 M HEPES PH 7.5 2.0M NH4SO4	Resolution 3.00 Å R-free 0.271
5G4C Human SIRT2 catalyse short chain fatty acyl lysine Deposited 2016-05-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 34–356（323 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 34-356	Not recorded	ZN ZINC ION × 1 CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；12% PEG 8K, 0.1 M HEPES, PH 7.5, 5% ISOPROPANOL	Resolution 2.10 Å R-free 0.220
5G4C Human SIRT2 catalyse short chain fatty acyl lysine Deposited 2016-05-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 34–356（323 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 34-356	Not recorded	CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；12% PEG 8K, 0.1 M HEPES, PH 7.5, 5% ISOPROPANOL	Resolution 2.10 Å R-free 0.220
5MAT Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor Deposited 2016-11-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Chain C 56–356（301 aa）	Not recorded	ZN ZINC ION × 2 7KJ (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one × 1 SO4 SULFATE ION × 14 PG4 TETRAETHYLENE GLYCOL × 1 P6G HEXAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.83；293 K；2.6M ammonium sulfate, 5% PEG 300, 0.1 M MES	Resolution 2.07 Å
5Y0Z Human SIRT2 in complex with a specific inhibitor, NPD11033 Deposited 2017-07-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 52–356（305 aa） Fragment：UNP residues 52-356	Mutation：deletion mutation 292-303	ZN ZINC ION × 1 8K9 (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25%(w/v) PEG 3350, 0.1M BisTris, pH 5.5	Resolution 2.00 Å R-free 0.242
5Y0Z Human SIRT2 in complex with a specific inhibitor, NPD11033 Deposited 2017-07-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 52–356（305 aa） Fragment：UNP residues 52-356	Mutation：deletion mutation 292-303	ZN ZINC ION × 1 8K9 (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25%(w/v) PEG 3350, 0.1M BisTris, pH 5.5	Resolution 2.00 Å R-free 0.242
5Y5N Crystal structure of human Sirtuin 2 in complex with a selective inhibitor Deposited 2017-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 34–356（323 aa）	Not recorded	ZN ZINC ION × 1 8NO 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；289 K；0.1M Bis-Tris buffer pH 5.5 15%(w/v) PEG5000 MME	Resolution 2.30 Å R-free 0.252
5YQL Crystal structure of Sirt2 in complex with selective inhibitor A2I Deposited 2017-11-07	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	A2I 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide × 1 ZN ZINC ION × 1 BME BETA-MERCAPTOETHANOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M Magnesium Formate, 23-30% (v/v) Polyethylene glycol 3350	Resolution 1.60 Å R-free 0.185
5YQM Crystal structure of Sirt2 in complex with selective inhibitor A29 Deposited 2017-11-07	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	ZN ZINC ION × 1 A2X 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide × 1 BME BETA-MERCAPTOETHANOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES PH6.8, 25%-30% PEG 3350	Resolution 1.74 Å R-free 0.220
5YQN Crystal structure of Sirt2 in complex with selective inhibitor L55 Deposited 2017-11-07	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	ZN ZINC ION × 1 L55 N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES PH7.4, 30% PEG 3350	Resolution 1.60 Å R-free 0.204
5YQO Crystal structure of Sirt2 in complex with selective inhibitor L5C Deposited 2017-11-07	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	ZN ZINC ION × 1 L5C N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.1M DL-malic acid PH7.0	Resolution 1.48 Å R-free 0.193
6L65 Sirtuin 2 protein with H3K18 myristoylated peptide Deposited 2019-10-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 50–355（306 aa）	Not recorded	ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；293.1 K；0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000	Resolution 1.80 Å R-free 0.218
6L66 Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule Deposited 2019-10-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–355（304 aa）	Not recorded	ZN ZINC ION × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；291.15 K；0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000	Resolution 2.17 Å R-free 0.234
6L71 Sirtuin 2 demyristoylation native intermediate I & II mixture Deposited 2019-10-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–355（304 aa）	Not recorded	NCA NICOTINAMIDE × 1 YOY [[(2S,3aS,5S,6R,6aS)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1 YDD [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000	Resolution 2.11 Å R-free 0.224
6L72 Sirtuin 2 demyristoylation native final product Deposited 2019-10-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 52–355（304 aa）	Not recorded	OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES, pH=6.5, 6%-20% (w/v) PEG10000	Resolution 2.50 Å R-free 0.243
6NR0 SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose Deposited 2019-01-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: monomeric	Chain A 1–319（319 aa） Chain B 1–319（319 aa）	Not recorded	ZN ZINC ION × 2 KXJ N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide × 2 KXG [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate × 2 NA SODIUM ION × 4 SO4 SULFATE ION × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；Mixed solution of 0.44 mM protein (in buffer of 20 mM Tris/HCl pH 7.5, 160 mM NaCl) 2.5 mM NAD+, 2.5 mM Glucose-TM-1beta with an equal volume of well solution of 2 M (NH4)2SO4, 80 mM Na Acetate/HCl pH 5.0	Resolution 2.45 Å R-free 0.256
6NR0 SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose Deposited 2019-01-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–319（319 aa）	Not recorded	ZN ZINC ION × 1 KXJ N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide × 1 KXG [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate × 1 NA SODIUM ION × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；Mixed solution of 0.44 mM protein (in buffer of 20 mM Tris/HCl pH 7.5, 160 mM NaCl) 2.5 mM NAD+, 2.5 mM Glucose-TM-1beta with an equal volume of well solution of 2 M (NH4)2SO4, 80 mM Na Acetate/HCl pH 5.0	Resolution 2.45 Å R-free 0.256
6QCN Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin Deposited 2018-12-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 55–356（302 aa）	Not recorded	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 QUE 3,5,7,3',4'-PENTAHYDROXYFLAVONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；14% PEG 10,000, 0.1M ammonium acetate pH 5.8	Resolution 2.23 Å R-free 0.234
6QCN Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin Deposited 2018-12-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 55–356（302 aa）	Not recorded	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；14% PEG 10,000, 0.1M ammonium acetate pH 5.8	Resolution 2.23 Å R-free 0.234
7BOS Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 Deposited 2020-03-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–356（305 aa） Fragment：residues52-356, lacking292-303	Not recorded	ZN ZINC ION × 1 F4R N-dodecylmethanethioamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M HEPES pH 7.0, 30% v/v Jeffamine ED-2001	Resolution 1.70 Å R-free 0.263
7BOT Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 Deposited 2020-03-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–356（305 aa） Fragment：residues52-356, lacking292-303	Not recorded	ZN ZINC ION × 1 F4R N-dodecylmethanethioamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.15M Potassium bromide, 30% (w/v) Polyethylene glycol monomethyl ether 2000	Resolution 1.70 Å R-free 0.320
7T1D Human SIRT2 in complex with small molecule 359 Deposited 2021-12-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Chain B 56–356（301 aa）	Not recorded	ZN ZINC ION × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 7 DMS DIMETHYL SULFOXIDE × 2 E7K 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；Crystals of SIRT2 in complex with FLS-359 were obtained using hanging-drop vapour diffusion setups. SIRT2 at a concentration of 21.9 mg/ml (50 mM Hepes-NaOH, 150 mM NaCl, pH 8.0) was preincubated with 3.6 mM (5.7-fold molar excess) of FLS-359 (100 mM in DMSO) for 1 h. 1 ul of the protein solution was then mixed with 2 ul of reservoir solution (0.1 M Hepes-NaOH pH 6.6, 0.3 M Li2SO4, 21 % (w/v) PEG 3350) and streak seeded before being equilibrated at 20C over 0.2 ml of reservoir solution. Well diffracting crystals grew as thick aggregates of thin plates and were mounted within 19 days	Resolution 1.75 Å R-free 0.213
8OWZ Crystal structure of human Sirt2 in complex with a triazole-based SirReal Deposited 2023-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	KZU 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide × 1 EDO 1,2-ETHANEDIOL × 4 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BU3 (R,R)-2,3-BUTANEDIOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25 % PEG 3,350 , 0.1 M Bis-Tris pH 6.5	Resolution 1.65 Å R-free 0.198
8PY3 Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor Deposited 2023-07-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 I1R 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；25 % PEG 3,350, 0.22 M Bis-Tris pH 6.5	Resolution 1.65 Å R-free 0.185
8QOO Crystal structure of human Sirt2 in complex with the peptide-based pseudo-inhibitor TNFn-4.1 Deposited 2023-09-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 EDO 1,2-ETHANEDIOL × 1 WH8 (2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid × 1 WGN (2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；19 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.25	Resolution 1.55 Å R-free 0.190
8QT0 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 Deposited 2023-10-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 WWE 3-dodecylsulfanyl-3-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；6.25 % (w/v) PEG 2,000, 6.25 % (w/v) PEG 3,350, 6.25 % (w/v) PEG 4,000, 6.25 % (w/v) PEG MME 5,000, 0.1 M HEPES pH 7.5	Resolution 1.85 Å R-free 0.213
8QT1 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 Deposited 2023-10-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 WU3 (2S)-2-dodecylsulfanylpropanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25 % (w/v) PEG 3,350 in 0.1 M Tris pH 8.5	Resolution 1.55 Å R-free 0.194
8QT2 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 Deposited 2023-10-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 WU8 3-dodecylsulfanyl-2,2-dimethyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；26.5 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5.	Resolution 1.65 Å R-free 0.197
8QT3 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ Deposited 2023-10-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 3 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 WU3 (2S)-2-dodecylsulfanylpropanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.0	Resolution 1.55 Å R-free 0.201
8QT4 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+ Deposited 2023-10-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 4 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 PGE TRIETHYLENE GLYCOL × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 WU8 3-dodecylsulfanyl-2,2-dimethyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5	Resolution 1.55 Å R-free 0.188
8QT8 Crystal structure of human Sirt2 in complex with a TNFa-Myr analogue TNFn-34 Deposited 2023-10-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 WWK 3-dodecylsulfanylpropanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；19 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.7	Resolution 1.65 Å R-free 0.212
8QTU Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+ Deposited 2023-10-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 EDO 1,2-ETHANEDIOL × 1 WWE 3-dodecylsulfanyl-3-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；21.5 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.25	Resolution 1.80 Å R-free 0.207
8TGP Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide Deposited 2023-07-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 34–356（323 aa）	Not recorded	ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M MES monohydrate pH 6.5 (NaOH), 20% w/v PEG 4,000	Resolution 1.76 Å R-free 0.230
8XE7 Crystal structure of human Sirt2 without Sirt2-specific insertion Deposited 2023-12-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 52–357（306 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；288 K；Bis-Tris (pH6.0), PEG 3350	Resolution 1.95 Å R-free 0.256
9DPD Cryo-EM structure of SerRS dimer in complex with one SIRT2 Deposited 2024-09-21	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 1–389（389 aa）	Not recorded	AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.87 Å
9DPI Cryo-EM structure of SerRS dimer in complex with two SIRT2 Deposited 2024-09-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–389（389 aa） Chain E 1–389（389 aa）	Not recorded	AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；in 25mM HEPES-Na pH7.5, 150mM NaCl cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å
9FDR Crystal structure of human Sirt2 in apo form with opened selectivity pocket Deposited 2024-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 3 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；31 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.5	Resolution 1.25 Å R-free 0.189
9FDS Crystal structure of human Sirt2 in complex with SirReal2 Deposited 2024-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 3 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；27 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	Resolution 1.40 Å R-free 0.198
9FDT Crystal structure of human Sirt2 in complex with a pyrazole-based fragment inhibitor Deposited 2024-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 A1IBW [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；33 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	Resolution 1.60 Å R-free 0.210
9FDU Crystal structure of human Sirt2 in complex with a pyridine-3-carbothioamide-based fragment inhibitor Deposited 2024-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 A1IBX 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbothioamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；33 % (w/v) PEG 3,350, 0.1 M HEPES pH 8.0; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	Resolution 1.55 Å R-free 0.215
9FDW Crystal structure of human Sirt2 in complex with a 3-chlorobenzamide-based fragment inhibitor Deposited 2024-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	A1IBY 3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；31 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	Resolution 1.60 Å R-free 0.214
9FDX Crystal structure of human Sirt2 in complex with the peptide-based inhibitor KT9 Deposited 2024-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2 A1IBZ (2~{S})-2-acetamido-~{N}-[(2~{S},3~{R})-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]-6-[[(3~{R})-3-(3,4-dichlorophenyl)sulfanylbutanoyl]amino]hexanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；29 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.25; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	Resolution 1.55 Å R-free 0.206
9FRU Crystal structure of human Sirt2 in complex with a pyrazole-based fragment inhibitor and NAD+ Deposited 2024-06-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 A1IBW [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；28 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.5; Inhibitor and NAD+ have been soaked in same condition with addition of 10 % (v/v) DMSO for 1h.	Resolution 2.00 Å R-free 0.229
9S1Z Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor Mz242 and ADP-ribose Deposited 2025-07-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	A1JK7 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-3-(2-methoxyethyl)-1$l^{4},2,3-triazacyclopenta-1,4-dien-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-Mz242-ADPR complex (14.0 mg/mL SIRT2, 10 mM NAD+, 0.5 mM Mz242 with 5 % (v/v) final DMSO concentration) formed after three days, with a reservoir solution containing 24 % (w/v) PEG MME 2000 in 0.1 M Bis-Tris at pH 6.5.	Resolution 1.10 Å R-free 0.177
9S20 Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor SH10 Deposited 2025-07-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 BU3 (R,R)-2,3-BUTANEDIOL × 2 EDO 1,2-ETHANEDIOL × 1 A1JK0 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-SH10 complex (18.0 mg/mL SIRT2, 10 mM NAD+, 1.67 mM of SH10 with 1.67 % (v/v) final DMSO concentration) formed after two days in wells of protein solution and reservoir solution containing 19 % (w/v) PEG 3350 in 0.1 M Bis-Tris at pH 6.5.	Resolution 1.50 Å R-free 0.182
9S21 Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor LG023 Deposited 2025-07-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 A1JK1 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-(1~{H}-1,2,3-triazol-4-ylmethoxy)phenyl]methyl]-1,3-thiazol-2-yl]ethanamide × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-LG023 complex (11.4 mg/mL SIRT2, 3.33 mM of LG023 with 3.33 % (v/v) final DMSO concentration) formed after one day via microseed matrix screening using crystals from the SIRT2-Mz242 complex (PDB 8OWZ) in wells with equal volume of protein solution and reservoir solution containing 32% (w/v) PEG MME 2000 in 0.1 M Bis-Tris at pH 6.5.	Resolution 1.55 Å R-free 0.204
9S22 Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor LG023 and ADP-ribose Deposited 2025-07-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 A1JK2 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-[LG023-ADPR] complex (11.4 mg/mL SIRT2, 10 mM NAD+, 3.33 mM of compound LG023 with 3.33 % (v/v) final DMSO concentration) formed after three days, with a reservoir solution containing 25 % (w/v) PEG 3350 and 0.2 M MgCl2 x 6H2O in 0.1 M Tris at pH 8.5.	Resolution 1.95 Å R-free 0.214
9S23 Crystal structure of human SIRT2 in complex with peptide triazole inhibitor OTDi1 Deposited 2025-07-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 A1JK5 4-dodecyl-1-ethyl-1,2,3-triazole × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-OTDi1 complex (11.0 mg/mL SIRT2, 5 mM of OTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with an equal volume of protein solution and reservoir solution containing 21.5 % (w/v) PEG 3350 in 0.1 M Bis-Tris at pH 6.7.	Resolution 2.30 Å R-free 0.259
9S24 Crystal structure of human SIRT2 in complex with the covalent adduct of peptide triazole inhibitor OTDi1 and ADP-ribose Deposited 2025-07-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 A1JK4 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-ethyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-[OTDi1-ADPR] complex (11.0 mg/mL SIRT2, 20 mM NAD+, 5 mM of OTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with an equal volume of protein solution and reservoir solution containing 26.5 % (w/v) PEG 3350 in 0.1 M HEPES at pH 7.5.	Resolution 2.10 Å R-free 0.229
9S25 Crystal structure of human SIRT2 in complex with peptide triazole inhibitor LTDi1 Deposited 2025-07-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 A1JK3 4-dodecyl-1-propyl-1,2,3-triazole × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-LDTi1 complex (11.0 mg/mL SIRT2, 5 mM of LTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with an equal volume of protein solution and reservoir solution containing 31.5 % (w/v) PEG 3350 in 0.1 M HEPES at pH 7.5.	Resolution 2.10 Å R-free 0.226
9S26 Crystal structure of human SIRT2 in complex with the covalent adduct of peptide triazole inhibitor LTDi1 and ADP-ribose Deposited 2025-07-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 56–356（301 aa） Fragment：UNP residues 56-356	Not recorded	ZN ZINC ION × 1 A1JK8 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-propyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-[LTDi1-ADPR] complex (11.0 mg/mL SIRT2, 20 mM NAD+, 5 mM of LTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with protein solution and reservoir solution containing 29 % (w/v) PEG 3350 and 0.1 M HEPES at pH 7.5.	Resolution 2.30 Å R-free 0.252
9S44 Human Histone Deacetylase SIRT2 Deposited 2025-07-25	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2 M ammonium formate 20 % (w/v) PEG3350	Resolution 2.15 Å R-free 0.274
9S46 Human SIRT2 in Complex with RW-78 Deposited 2025-07-25	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	A1JLK ~{N}-[2-chloranyl-4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M sodium acetate 17 % (w/v) PEG3350	Resolution 1.45 Å R-free 0.190
9S48 Human SIRT2 in Complex with RW-80 Deposited 2025-07-25	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 56–356（301 aa）	Not recorded	ZN ZINC ION × 1 A1JLL ~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]-2-iodanyl-phenyl]-1-methyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 7 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M sodium acetate 17 % (w/v) PEG 3350	Resolution 1.45 Å R-free 0.187
9V7W SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 3 Deposited 2025-05-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 50–356（307 aa）	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 8 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG 2000MME	Resolution 1.86 Å R-free 0.231
9VEM SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 1 Deposited 2025-06-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–355（304 aa）	Not recorded	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；Tris 8.0, 25% PEG 2000MME	Resolution 2.57 Å R-free 0.264
9VEW SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 2 Deposited 2025-06-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 52–355（304 aa）	Not recorded	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；Tris 8.0, 25% PEG 2000MME	Resolution 2.68 Å R-free 0.251
9VG0 SIRT2 structure in complex with H3K18myr peptide Deposited 2025-06-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 50–356（307 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 5 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；Tris 8.0, 25% PEG 2000MME	Resolution 1.61 Å R-free 0.231
9VG3 SIRT2 structure in complex with H3K18myr peptide: pre NAD binding state Deposited 2025-06-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 57–356（300 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG2000MME	Resolution 2.15 Å R-free 0.251
9VGE SIRT2 demyristoylation intermediate I structure Deposited 2025-06-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 50–356（307 aa）	Not recorded	NCA NICOTINAMIDE × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 YDD [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG 2000MME	Resolution 2.56 Å R-free 0.282
9VGZ SIRT2-F96A structure in complex with H3K18myr peptide and native NAD Deposited 2025-06-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 50–356（307 aa）	Mutation：F96A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG 2000MME	Resolution 2.34 Å R-free 0.236
9VH0 SIRT2-H187A structure in complex with H3K18myr peptide and native NAD Deposited 2025-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 54–355（302 aa）	Mutation：H187A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；289 K；0.1 M MES 5.5, 9.2% PEG10000	Resolution 2.41 Å R-free 0.273
9VH0 SIRT2-H187A structure in complex with H3K18myr peptide and native NAD Deposited 2025-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 54–355（302 aa）	Mutation：H187A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；289 K；0.1 M MES 5.5, 9.2% PEG10000	Resolution 2.41 Å R-free 0.273

77 other PDB entries and 96 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SIR2_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–303； UniProt 56–356 Author chain B； PDBConstruct 3–303； UniProt 56–356

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5mar
Deposition date deposition_date	2016-11-04
Structure title title	Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose.
Keywords keywords	Sirtuin, NAD-dependent Protein deacylase, Inhibitor Complex, Hydrolase; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	28.07 Å
Radius of gyration Rg (electron density) rg_electron	27.00 Å
Forward intensity I(0) i0	82386000.00
Molecular weight molecular_weight	71141.0 kDa
Excluded volume excluded_volume	89009 Å³
Envelope volume envelope_volume	108600 Å³
Hydration-shell volume shell_volume	33341 Å³
Envelope diameter envelope_diameter	95.3 Å
Shell Rg shell_rg	34.48 Å
Envelope Rg envelope_rg	26.94 Å
Shape Rg shape_rg	27.01 Å
Total Rg total_rg	27.74 Å
Total atoms total_atoms	9871
Residues n_residues	604
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	91.2 Å
Rg (real space) rg_real	27.97 Å
Rg uncertainty (real space) rg_real_error	0.52 Å
I(0) (real space) i0_real	8.2390e+07
I(0) uncertainty (real space) i0_real_error	1.1570e+06
Rg (reciprocal space) rg_reciprocal	28.01 Å
I(0) (reciprocal space) i0_reciprocal	82390000.0000
Solution quality estimate total_estimate	0.9002
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	32.0 Å
Skewness Skewness skewness	0.222
Kurtosis Kurtosis kurtosis	-0.476
Angular range angular_range	— – 0.2850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	15000000.0000
Real-space data points n_real_points	58
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.990

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (9)

Entity 1 Entity 1 polymer

Description description	NAD-dependent protein deacetylase sirtuin-2
Molecular weight formula_weight	34359.7 kDa
EC 编号 ec_number	3.5.1.-
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	10474

HMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21

Entity 2 Entity 2 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	;[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE ;
Molecular weight formula_weight	559.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
Molecular weight formula_weight	238.7 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	DIMETHYL SULFOXIDE
Molecular weight formula_weight	78.1 kDa
Source method src_method	syn
Copy count entity_count	9

Entity 7 Entity 7 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 8 Entity 8 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 9 Entity 9 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	473

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d5mara1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.31 — DHS-like NAD/FAD-binding domain
Superfamily Superfamily superfamily	c.31.1 — DHS-like NAD/FAD-binding domain
Family Family family	c.31.1.5 — Sir2 family of transcriptional regulators

Domain ID domain_id	d5mara2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d5marb1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.31 — DHS-like NAD/FAD-binding domain
Superfamily Superfamily superfamily	c.31.1 — DHS-like NAD/FAD-binding domain
Family Family family	c.31.1.5 — Sir2 family of transcriptional regulators

Domain ID domain_id	d5marb2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id	5marA01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1220 — TPP-binding domain

Domain ID domain_id	5marA02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1600 — SIR2/SIRT2 'Small Domain'
Homologous superfamily homologous superfamily	10 — SIR2/SIRT2 'Small Domain'

Domain ID domain_id	5marB01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1220 — TPP-binding domain

Domain ID domain_id	5marB02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1600 — SIR2/SIRT2 'Small Domain'
Homologous superfamily homologous superfamily	10 — SIR2/SIRT2 'Small Domain'

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8. Citations (1)

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Unit-cell length a length_a	76.557 Å
Unit-cell length b length_b	76.709 Å
Unit-cell length c length_c	113.827 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	orthorhombic

Resolution resolution	1.890 Å
Low-resolution limit resolution_low	48.930 Å
R factor r_factor	—
R_work r_work	0.1732
R_free r_free	0.1943

fit	/app/data/saxs_computation/ma/5mar/5mar.fit
pddf	/app/data/pr_computation/ma/5mar/5mar.pr.out
profile	/app/data/saxs_computation/ma/5mar/5mar.dat