Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91959 | Target Info | |||
| Target Name | NAD-dependent deacetylase sirtuin-3 (SIRT3) | ||||
| Synonyms | hSIRT3; SIR2L3; SIR2-like protein 3; Regulatory protein SIR2 homolog 3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SIRT3 | ||||
| Biochemical Class | Sirtuin family. Class I subfamily | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Amiodarone | Ligand Info | |||
| Canonical SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I | ||||
| InChI | 1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | ||||
| InChIKey | IYIKLHRQXLHMJQ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 2157 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4O8Z Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
KLSLQDVAEL
131 IRARACQRVV141 VMVGAGISTP151 SGIPDFSPGS162 GLYSNLQQYD172 LPYPEAIFEL 182 PFFFHNPKPF192 FTLAKELYPG202 NYKPNVTHYF212 LRLLHDKGLL222 LRLYTQNIDG 232 LERVSGIPAS242 KLVEAHGTFA252 SATCTVCQRP262 FPGEDIRADV272 MADRVPRCPV 282 CTGVVKPDIV292 FFGEPLPQRF302 LLHVVDFPMA312 DLLLILGTSL322 EVEPFASLTE 332 AVRSSVPRLL342 INRDLVGPLA352 WHPRSRDVAQ362 LGDVVHGVES372 LVELLGWTEE 382 MRDLVQRETG392 KL
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| PDB ID: 5H4D Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride | ||||||
| Method | X-ray diffraction | Resolution | 3.21 Å | Mutation | No | [2] |
| PDB Sequence |
GKLSLQDVAE
130 LIRARACQRV140 VVMVGAGIST150 PSGIPDFRSP160 GSGLYSNLQQ170 YDLPYPEAIF 180 ELPFFFHNPK190 PFFTLAKELY200 PGNYKPNVTH210 YFLRLLHDKG220 LLLRLYTQNI 230 DGLERVSGIP240 ASKLVEAHGT250 FASATCTVCQ260 RPFPGEDIRA270 DVMADRVPRC 280 PVCTGVVKPD290 IVFFGEPLPQ300 RFLLHVVDFP310 MADLLLILGT320 SLEVEPFASL 330 TEAVRSSVPR340 LLINRDLVGP350 LAWHPRSRDV360 AQLGDVVHGV370 ESLVELLGWT 380 EEMRDLVQRE390 T
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone | ||||
| REF 2 | Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride | ||||
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