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 | N6-Succinyllysine | Ligand Info | |||
| Canonical SMILES | C(CCNC(=O)CCC(=O)O)CC(C(=O)O)N | ||||
| InChI | 1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | ||||
| InChIKey | ZAFOVBXOMIXMTH-ZETCQYMHSA-N | ||||
| PubChem Compound ID | 46947876 | ||||
| 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
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| 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
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| PDB ID: 4G1C Human SIRT5 bound to Succ-IDH2 and Carba-NAD | ||||||
| Method | X-ray diffraction | Resolution | 1.94 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
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| 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 | Synthesis of carba-NAD and the structures of its ternary complexes with SIRT3 and SIRT5. J Org Chem. 2012 Sep 7;77(17):7319-29. | ||||
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