5Y2F
Human SIRT6 in complex with allosteric activator MDL-801
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0070403 | molecular_function | NAD+ binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| Details | binding site for residue AR6 A 401 |
| Chain | Residue |
| A | GLU20 |
| A | GLN111 |
| A | HIS131 |
| A | GLY212 |
| A | THR213 |
| A | SER214 |
| A | ILE217 |
| A | ASN238 |
| A | LEU239 |
| A | GLN240 |
| A | GLY254 |
| A | GLY50 |
| A | TYR255 |
| A | VAL256 |
| A | SO4412 |
| A | HOH508 |
| A | HOH527 |
| A | HOH531 |
| A | HOH559 |
| A | HOH574 |
| C | LYS5 |
| C | HDR101 |
| A | ALA51 |
| A | GLY52 |
| A | THR55 |
| A | ASP61 |
| A | PHE62 |
| A | ARG63 |
| A | TRP69 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue 8L9 A 402 |
| Chain | Residue |
| A | ASN2 |
| A | GLU72 |
| A | PHE80 |
| A | THR83 |
| A | PHE84 |
| A | GLU85 |
| A | MET134 |
| A | VAL151 |
| A | GOL408 |
| A | HOH603 |
| C | HDR101 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 403 |
| Chain | Residue |
| A | CYS139 |
| A | CYS142 |
| A | CYS164 |
| A | CYS175 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | GLU187 |
| A | LYS243 |
| A | HIS244 |
| A | ARG246 |
| A | HIS247 |
| A | HOH521 |
| C | HOH205 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 405 |
| Chain | Residue |
| A | ARG124 |
| A | GLN145 |
| A | GLU281 |
| A | GLU281 |
| A | ARG282 |
| A | HOH526 |
| A | HOH587 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 406 |
| Chain | Residue |
| A | LYS228 |
| A | HIS247 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 407 |
| Chain | Residue |
| A | GLU34 |
| A | ARG37 |
| A | GLN41 |
| A | ARG233 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 408 |
| Chain | Residue |
| A | ALA5 |
| A | MET134 |
| A | GLY153 |
| A | THR154 |
| A | MET155 |
| A | 8L9402 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue SO4 A 409 |
| Chain | Residue |
| A | ARG180 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 410 |
| Chain | Residue |
| A | ALA159 |
| A | THR160 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 411 |
| Chain | Residue |
| A | ARG218 |
| A | PRO219 |
| A | ASN222 |
| A | PEG415 |
| C | HOH201 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 412 |
| Chain | Residue |
| A | GLU20 |
| A | THR55 |
| A | AR6401 |
| A | HOH511 |
| A | HOH581 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 413 |
| Chain | Residue |
| A | LYS31 |
| A | ARG251 |
| A | HIS253 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 414 |
| Chain | Residue |
| A | TRP33 |
| A | LYS265 |
| A | HOH555 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue PEG A 415 |
| Chain | Residue |
| A | ASP199 |
| A | SO4411 |
| C | ALA3 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue HDR C 101 |
| Chain | Residue |
| A | MET155 |
| A | LEU184 |
| A | TRP186 |
| A | AR6401 |
| A | 8L9402 |
| C | LYS5 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 102 |
| Chain | Residue |
| C | ARG4 |
| C | HOH201 |
| C | ALA3 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | MOD_RES: 5-glutamyl serotonin; alternate => ECO:0000269|PubMed:30867594 |
| Chain | Residue | Details |
| C | GLN1 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine; by PKC => ECO:0000269|PubMed:20228790 |
| Chain | Residue | Details |
| C | THR2 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: Symmetric dimethylarginine; by PRMT5; alternate => ECO:0000250|UniProtKB:P68433 |
| Chain | Residue | Details |
| A | PHE62 | |
| A | ARG63 | |
| A | TRP69 | |
| A | GLN111 | |
| A | HIS131 | |
| A | GLY212 | |
| A | SER214 | |
| A | ASN238 | |
| A | GLN240 | |
| A | VAL256 | |
| C | ARG4 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-methyllysine; alternate => ECO:0000269|PubMed:11242053, ECO:0000269|PubMed:16185088, ECO:0000269|PubMed:16267050, ECO:0000269|PubMed:16457588, ECO:0000269|PubMed:17194708 |
| Chain | Residue | Details |
| A | CYS142 | |
| A | CYS164 | |
| A | CYS175 | |
| C | LYS5 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine; alternate; by AURKB, AURKC, RPS6KA3, RPS6KA4 and RPS6KA5 => ECO:0000269|PubMed:10464286, ECO:0000269|PubMed:11856369, ECO:0000269|PubMed:12560483, ECO:0000269|PubMed:15681610, ECO:0000269|PubMed:16185088, ECO:0000269|PubMed:16457588 |
| Chain | Residue | Details |
| C | SER6 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine; by PKC and CHEK1 => ECO:0000269|PubMed:12560483, ECO:0000269|PubMed:18066052, ECO:0000269|PubMed:18243098, ECO:0000269|PubMed:22901803 |
| Chain | Residue | Details |
| C | THR7 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:32538779 |
| Chain | Residue | Details |
| A | LYS31 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | THR292 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER301 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:24043303 |
| Chain | Residue | Details |
| A | LYS168 |
