Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91940 | Target Info | |||
| Target Name | NAD-dependent deacetylase sirtuin-5 (SIRT5) | ||||
| Synonyms | SIR2L5; SIR2-like protein 5; Regulatory protein SIR2 homolog 5 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SIRT5 | ||||
| Biochemical Class | Sirtuin family. Class III subfamily | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 7-amino-4-methyl-chromen-2-one | Ligand Info | |||
| Canonical SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)N | ||||
| InChI | 1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3 | ||||
| InChIKey | GLNDAGDHSLMOKX-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 92249 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5BWL Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [1] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
|
|||||
|
|
||||||
| PDB ID: 5XHS Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [2] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTFRFHFQ290 GPCGTTLPEA 300 LA
|
|||||
|
|
||||||
| PDB ID: 6LJM Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13 | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [3] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
|
|||||
|
|
||||||
| PDB ID: 6LJN Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MCM or .MCM2 or .MCM3 or :3MCM;style chemicals stick;color identity;select .A:158 or .A:221 or .A:222 or .A:223 or .A:224 or .A:225 or .A:226 or .A:227 or .A:232 or .A:255 or .A:259 or .A:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide | ||||
| REF 2 | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design. doi:10.1039/C7RA05824A. | ||||
| REF 3 | Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery. Eur J Med Chem. 2020 Apr 15;192:112201. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.