4BUZ
SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006338 | biological_process | chromatin remodeling |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0016740 | molecular_function | transferase activity |
| A | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| A | 0034979 | molecular_function | NAD-dependent protein lysine deacetylase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051287 | molecular_function | NAD binding |
| A | 0070403 | molecular_function | NAD+ binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE OCZ A 1247 |
| Chain | Residue |
| A | PRO31 |
| A | VAL160 |
| A | HOH2020 |
| A | HOH2021 |
| P | ALY382 |
| A | PHE33 |
| A | PHE48 |
| A | MET71 |
| A | GLN98 |
| A | ASN99 |
| A | ILE100 |
| A | ASP101 |
| A | ILE159 |
| site_id | AC2 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAD A 1248 |
| Chain | Residue |
| A | GLY21 |
| A | ALA22 |
| A | GLY23 |
| A | THR26 |
| A | PRO27 |
| A | ILE30 |
| A | PRO31 |
| A | ASP32 |
| A | PHE33 |
| A | GLN98 |
| A | ASN99 |
| A | ILE100 |
| A | ASP101 |
| A | HIS116 |
| A | GLY188 |
| A | SER189 |
| A | SER190 |
| A | ASN214 |
| A | LEU215 |
| A | MET230 |
| A | ASP231 |
| A | VAL232 |
| A | HOH2020 |
| A | HOH2021 |
| A | HOH2161 |
| A | HOH2196 |
| A | HOH2197 |
| P | ALY382 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE OAD A 1249 |
| Chain | Residue |
| A | GLY21 |
| A | ALA22 |
| A | GLY23 |
| A | THR26 |
| A | PRO27 |
| A | ASP32 |
| A | PHE33 |
| A | PHE48 |
| A | HIS116 |
| A | VAL160 |
| A | PHE162 |
| A | GLY188 |
| A | SER189 |
| A | SER190 |
| A | VAL193 |
| A | ASN214 |
| A | LEU215 |
| A | MET230 |
| A | ASP231 |
| A | VAL232 |
| A | HOH2020 |
| A | HOH2161 |
| A | HOH2196 |
| A | HOH2197 |
| P | ALY382 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1250 |
| Chain | Residue |
| A | CYS124 |
| A | CYS127 |
| A | CYS148 |
| A | CYS151 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 1251 |
| Chain | Residue |
| A | TYR123 |
| A | LYS130 |
| A | HOH2107 |
| A | HOH2114 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:29474172, ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| P | LYS381 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-methyllysine; by KMT5A; alternate => ECO:0000269|PubMed:17707234, ECO:0000269|PubMed:20870725, ECO:0000269|PubMed:22864287 |
| Chain | Residue | Details |
| P | ALY382 | |
| A | GLY216 | |
| A | ASP231 | |
| A | VAL232 | |
| A | THR26 | |
| A | ARG34 | |
| A | GLN98 | |
| A | HIS116 | |
| A | SER189 | |
| A | SER190 | |
| A | ASN214 | |
| A | LEU215 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) => ECO:0000269|PubMed:11124955, ECO:0000269|PubMed:22214662, ECO:0000269|Ref.37 |
| Chain | Residue | Details |
| P | LYS386 | |
| A | ILE100 | |
| A | ASP101 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15780941, ECO:0000269|PubMed:16768447, ECO:0000269|PubMed:16905097, ECO:0000269|PubMed:18786399, ECO:0000269|PubMed:19801667, ECO:0000269|PubMed:21080423, ECO:0007744|PDB:1YC5, ECO:0007744|PDB:2H2D, ECO:0007744|PDB:2H4F, ECO:0007744|PDB:3D4B, ECO:0007744|PDB:3JR3, ECO:0007744|PDB:3PDH |
| Chain | Residue | Details |
| A | CYS124 | |
| A | CYS127 | |
| A | CYS148 | |
| A | CYS151 |
