6QCJ
Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| Details | binding site for residue AR6 A 401 |
| Chain | Residue |
| A | GLY52 |
| A | HIS133 |
| A | GLY214 |
| A | THR215 |
| A | SER216 |
| A | ILE219 |
| A | ASN240 |
| A | LEU241 |
| A | GLN242 |
| A | GLY256 |
| A | TYR257 |
| A | ALA53 |
| A | VAL258 |
| A | EDO403 |
| A | HOH508 |
| A | HOH511 |
| A | HOH512 |
| A | HOH539 |
| A | HOH548 |
| A | HOH566 |
| B | ASP83 |
| B | HOH521 |
| A | GLY54 |
| A | THR57 |
| A | ASP63 |
| A | PHE64 |
| A | ARG65 |
| A | TRP71 |
| A | GLN113 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 402 |
| Chain | Residue |
| A | CYS141 |
| A | CYS144 |
| A | CYS166 |
| A | CYS177 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | LEU186 |
| A | ASP187 |
| A | TRP188 |
| A | AR6401 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 404 |
| Chain | Residue |
| A | LYS33 |
| A | ARG253 |
| A | HIS255 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 405 |
| Chain | Residue |
| A | ARG205 |
| A | ARG231 |
| A | ARG232 |
| B | ARG205 |
| B | ARG232 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 406 |
| Chain | Residue |
| A | ARG220 |
| A | PRO221 |
| A | ASN224 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | binding site for residue XEG A 407 |
| Chain | Residue |
| A | ILE61 |
| A | PRO62 |
| A | PHE64 |
| A | TRP71 |
| A | PHE86 |
| A | VAL115 |
| A | ASP116 |
| A | MET136 |
| A | VAL154 |
| A | GLY155 |
| A | THR156 |
| A | MET157 |
| A | ILE185 |
| A | HOH502 |
| A | HOH563 |
| site_id | AC8 |
| Number of Residues | 24 |
| Details | binding site for residue AR6 B 401 |
| Chain | Residue |
| A | ASP83 |
| B | GLY52 |
| B | ALA53 |
| B | GLY54 |
| B | THR57 |
| B | ASP63 |
| B | PHE64 |
| B | ARG65 |
| B | TRP71 |
| B | GLN113 |
| B | HIS133 |
| B | GLY214 |
| B | THR215 |
| B | SER216 |
| B | ILE219 |
| B | ASN240 |
| B | LEU241 |
| B | GLN242 |
| B | GLY256 |
| B | TYR257 |
| B | VAL258 |
| B | HOH506 |
| B | HOH513 |
| B | HOH556 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 402 |
| Chain | Residue |
| B | CYS141 |
| B | CYS144 |
| B | CYS166 |
| B | CYS177 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 403 |
| Chain | Residue |
| A | HIS68 |
| A | ASP83 |
| B | HIS68 |
| B | LYS81 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 404 |
| Chain | Residue |
| B | LYS33 |
| B | ARG253 |
| B | HOH507 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 405 |
| Chain | Residue |
| B | PRO221 |
| B | ASN224 |
| B | ARG220 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 406 |
| Chain | Residue |
| A | ARG90 |
| A | ALA275 |
| A | TRP276 |
| B | ARG90 |
| B | ALA275 |
| B | TRP276 |
| B | HOH542 |
| site_id | AD5 |
| Number of Residues | 13 |
| Details | binding site for residue XEG B 407 |
| Chain | Residue |
| B | ILE61 |
| B | PRO62 |
| B | PHE64 |
| B | TRP71 |
| B | PHE86 |
| B | VAL115 |
| B | MET136 |
| B | GLY155 |
| B | THR156 |
| B | MET157 |
| B | HOH510 |
| B | HOH517 |
| B | HOH564 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:18337721, ECO:0000305|PubMed:23552949, ECO:0000305|PubMed:23892288, ECO:0000305|PubMed:27322069, ECO:0000305|PubMed:28406396 |
| Chain | Residue | Details |
| A | HIS133 | |
| B | HIS133 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:21362626, ECO:0007744|PDB:3K35, ECO:0007744|PDB:3ZG6 |
| Chain | Residue | Details |
| A | ALA53 | |
| B | ALA53 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 22 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23552949, ECO:0000305|PubMed:21362626, ECO:0007744|PDB:3K35, ECO:0007744|PDB:3ZG6 |
| Chain | Residue | Details |
| A | THR57 | |
| A | GLN242 | |
| A | VAL258 | |
| B | THR57 | |
| B | PHE64 | |
| B | ARG65 | |
| B | TRP71 | |
| B | GLN113 | |
| B | HIS133 | |
| B | GLY214 | |
| B | SER216 | |
| A | PHE64 | |
| B | ASN240 | |
| B | GLN242 | |
| B | VAL258 | |
| A | ARG65 | |
| A | TRP71 | |
| A | GLN113 | |
| A | HIS133 | |
| A | GLY214 | |
| A | SER216 | |
| A | ASN240 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:21362626, ECO:0000269|PubMed:23552949, ECO:0000269|PubMed:27990725, ECO:0007744|PDB:3K35, ECO:0007744|PDB:3PKI, ECO:0007744|PDB:3PKJ, ECO:0007744|PDB:3ZG6, ECO:0007744|PDB:5MF6, ECO:0007744|PDB:5MFP, ECO:0007744|PDB:5MFZ, ECO:0007744|PDB:5MGN |
| Chain | Residue | Details |
| A | CYS141 | |
| A | CYS144 | |
| A | CYS166 | |
| A | CYS177 | |
| B | CYS141 | |
| B | CYS144 | |
| B | CYS166 | |
| B | CYS177 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Formation of an covalent adduct with nitro-fatty acid activators => ECO:0000269|PubMed:33122195 |
| Chain | Residue | Details |
| A | CYS18 | |
| B | CYS18 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:32538779 |
| Chain | Residue | Details |
| A | LYS33 | |
| B | LYS33 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | THR294 | |
| B | THR294 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER303 | |
| B | SER303 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:24043303 |
| Chain | Residue | Details |
| A | LYS170 | |
| B | LYS170 |
