5SYM
Cocrystal structure of the human acyl protein thioesterase 1 with an isoform-selective inhibitor, ML348
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0002084 | biological_process | protein depalmitoylation |
| A | 0004620 | molecular_function | phospholipase activity |
| A | 0004622 | molecular_function | lysophospholipase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0008474 | molecular_function | palmitoyl-(protein) hydrolase activity |
| A | 0015908 | biological_process | fatty acid transport |
| A | 0016298 | molecular_function | lipase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0031965 | cellular_component | nuclear membrane |
| A | 0042997 | biological_process | negative regulation of Golgi to plasma membrane protein transport |
| A | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 1905336 | biological_process | negative regulation of aggrephagy |
| B | 0002084 | biological_process | protein depalmitoylation |
| B | 0004620 | molecular_function | phospholipase activity |
| B | 0004622 | molecular_function | lysophospholipase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0008474 | molecular_function | palmitoyl-(protein) hydrolase activity |
| B | 0015908 | biological_process | fatty acid transport |
| B | 0016298 | molecular_function | lipase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0031965 | cellular_component | nuclear membrane |
| B | 0042997 | biological_process | negative regulation of Golgi to plasma membrane protein transport |
| B | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 1905336 | biological_process | negative regulation of aggrephagy |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue 71Q A 301 |
| Chain | Residue |
| A | ILE75 |
| A | VAL177 |
| A | PHE181 |
| A | THR185 |
| A | CL308 |
| A | HOH431 |
| A | HOH456 |
| A | GLY77 |
| A | LEU78 |
| A | SER79 |
| A | PRO80 |
| A | TRP145 |
| A | LEU146 |
| A | ARG149 |
| A | LEU176 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 302 |
| Chain | Residue |
| A | GLY36 |
| A | TRP37 |
| A | SER210 |
| B | MET65 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | SER210 |
| A | CYS211 |
| A | MET215 |
| A | HOH531 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | LYS97 |
| A | THR131 |
| A | THR132 |
| A | GLN133 |
| A | HOH403 |
| A | HOH423 |
| B | GLU204 |
| B | GLN213 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | LYS19 |
| A | ALA20 |
| A | ASN106 |
| A | CL307 |
| A | HOH428 |
| B | ARG45 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | GLN83 |
| A | GLU84 |
| A | HOH459 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 307 |
| Chain | Residue |
| A | ALA20 |
| A | EDO305 |
| B | ARG45 |
| B | HOH547 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 308 |
| Chain | Residue |
| A | LEU30 |
| A | SER119 |
| A | GLN120 |
| A | 71Q301 |
| B | HOH414 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 309 |
| Chain | Residue |
| A | ARG18 |
| A | THR21 |
| A | PRO228 |
| A | ILE229 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 310 |
| Chain | Residue |
| A | MET65 |
| A | HOH466 |
| B | GLY36 |
| B | TRP37 |
| B | SER210 |
| site_id | AD2 |
| Number of Residues | 16 |
| Details | binding site for residue 71Q B 301 |
| Chain | Residue |
| B | LEU30 |
| B | ILE75 |
| B | GLY77 |
| B | LEU78 |
| B | SER79 |
| B | PRO80 |
| B | TRP145 |
| B | LEU146 |
| B | ARG149 |
| B | LEU176 |
| B | VAL177 |
| B | PHE181 |
| B | THR185 |
| B | CL303 |
| B | HOH408 |
| B | HOH411 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 302 |
| Chain | Residue |
| A | ASN66 |
| A | GLY159 |
| B | MET207 |
| B | SER209 |
| B | HOH417 |
| B | HOH426 |
| B | HOH450 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue CL B 303 |
| Chain | Residue |
| A | HOH420 |
| B | LEU30 |
| B | SER119 |
| B | GLN120 |
| B | 71Q301 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Charge relay system => ECO:0000269|PubMed:19439193, ECO:0000269|PubMed:37802024 |
| Chain | Residue | Details |
| A | SER119 | |
| B | SER119 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Charge relay system => ECO:0000305|PubMed:11080636 |
| Chain | Residue | Details |
| A | ASP174 | |
| A | HIS208 | |
| B | ASP174 | |
| B | HIS208 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P97823 |
| Chain | Residue | Details |
| A | LYS224 | |
| B | LYS224 |
