9S27
Crystal structure of human SIRT3 in complex with the covalent adduct of peptide triazole inhibitor LTDi1 and ADP-ribose
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | polymer | 281 | 31268.0 | 1 | UniProt (Q9NTG7) Pfam (PF02146) | Homo sapiens (human) | hSIRT3,Regulatory protein SIR2 homolog 3,SIR2-like protein 3 |
| 2 | B (B) | TNFa-derived lysine triazole dodecyl inhibitor | polymer | 9 | 843.9 | 1 | Homo sapiens | ||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D, E (A) | (R,R)-2,3-BUTANEDIOL | non-polymer | 90.1 | 2 | Chemie (BU3) | |||
| 5 | F (B) | [[(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 | non-polymer | 821.8 | 1 | Chemie (A1JK8) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 228 | Chemie (HOH) |
Sequence modifications
A: 118 - 395 (UniProt: Q9NTG7)
| PDB | External Database | Details |
|---|---|---|
| Gly 115 | - | expression tag |
| His 116 | - | expression tag |
| Met 117 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 32112.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1067.4 | |
| All* | Total formula weight | 33179.4 |
