4I5I
Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | NAD-dependent protein deacetylase sirtuin-1 | polymer | 287 | 32520.7 | 2 | UniProt (Q96EB6) Pfam (PF02146) In PDB | Homo sapiens (human) | hSIRT1, Regulatory protein SIR2 homolog 1, SIR2-like protein 1, hSIR2, SirtT1 75 kDa fragment, 75SirT1 |
2 | A, B | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide | non-polymer | 262.7 | 2 | Chemie (4I5) | |||
3 | A, B | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
4 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
5 | water | water | 18.0 | 162 | Chemie (HOH) |
Sequence modifications
A, B: 241 - 516 (UniProt: Q96EB6)
PDB | External Database | Details |
---|---|---|
Met 238 | - | expression tag |
Ala 239 | - | expression tag |
Leu 240 | - | expression tag |
Glu 517 | - | expression tag |
Gly 518 | - | expression tag |
His 519 | - | expression tag |
His 520 | - | expression tag |
His 521 | - | expression tag |
His 522 | - | expression tag |
His 523 | - | expression tag |
His 524 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 65041.4 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 1983.1 | |
All* | Total formula weight | 67024.6 |