4CQF
Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004407 | molecular_function | histone deacetylase activity |
| A | 0005634 | cellular_component | nucleus |
| A | 0006325 | biological_process | chromatin organization |
| A | 0006351 | biological_process | DNA-templated transcription |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0031507 | biological_process | heterochromatin formation |
| A | 0040029 | biological_process | epigenetic regulation of gene expression |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0141221 | molecular_function | histone deacetylase activity, hydrolytic mechanism |
| B | 0004407 | molecular_function | histone deacetylase activity |
| B | 0005634 | cellular_component | nucleus |
| B | 0006325 | biological_process | chromatin organization |
| B | 0006351 | biological_process | DNA-templated transcription |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0031507 | biological_process | heterochromatin formation |
| B | 0040029 | biological_process | epigenetic regulation of gene expression |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0141221 | molecular_function | histone deacetylase activity, hydrolytic mechanism |
| C | 0004407 | molecular_function | histone deacetylase activity |
| C | 0005634 | cellular_component | nucleus |
| C | 0006325 | biological_process | chromatin organization |
| C | 0006351 | biological_process | DNA-templated transcription |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0031507 | biological_process | heterochromatin formation |
| C | 0040029 | biological_process | epigenetic regulation of gene expression |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0141221 | molecular_function | histone deacetylase activity, hydrolytic mechanism |
| D | 0004407 | molecular_function | histone deacetylase activity |
| D | 0005634 | cellular_component | nucleus |
| D | 0006325 | biological_process | chromatin organization |
| D | 0006351 | biological_process | DNA-templated transcription |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0031507 | biological_process | heterochromatin formation |
| D | 0040029 | biological_process | epigenetic regulation of gene expression |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0141221 | molecular_function | histone deacetylase activity, hydrolytic mechanism |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 500 |
| Chain | Residue |
| A | ASP186 |
| A | HIS188 |
| A | ASP285 |
| A | 9Z8700 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K A 600 |
| Chain | Residue |
| A | PHE197 |
| A | SER200 |
| A | VAL203 |
| A | SER243 |
| A | HOH2067 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K A 601 |
| Chain | Residue |
| A | ASP184 |
| A | ASP186 |
| A | HIS188 |
| A | SER207 |
| A | VAL208 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 9Z8 A 700 |
| Chain | Residue |
| A | TYR99 |
| A | ASP100 |
| A | HIS141 |
| A | HIS142 |
| A | GLY150 |
| A | PHE151 |
| A | ASP186 |
| A | HIS188 |
| A | PHE216 |
| A | ASP285 |
| A | TYR341 |
| A | ZN500 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DMF A 800 |
| Chain | Residue |
| A | SER18 |
| A | PRO19 |
| A | LYS20 |
| A | ASP100 |
| A | PHE104 |
| A | TYR110 |
| A | PHE151 |
| A | TYR153 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMF A 801 |
| Chain | Residue |
| A | ARG352 |
| A | GLU359 |
| A | MET366 |
| A | ILE368 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 500 |
| Chain | Residue |
| B | ASP186 |
| B | HIS188 |
| B | ASP285 |
| B | 9Z8700 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K B 600 |
| Chain | Residue |
| B | PHE197 |
| B | SER200 |
| B | VAL203 |
| B | SER243 |
| B | HOH2049 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K B 601 |
| Chain | Residue |
| B | ASP184 |
| B | ASP186 |
| B | HIS188 |
| B | SER207 |
| B | VAL208 |
| site_id | BC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 9Z8 B 700 |
| Chain | Residue |
| B | TYR99 |
| B | ASP100 |
| B | HIS141 |
| B | HIS142 |
| B | GLY150 |
| B | PHE151 |
| B | ASP186 |
| B | HIS188 |
| B | PHE216 |
| B | ASP285 |
| B | GLY339 |
| B | TYR341 |
| B | ZN500 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE DMF B 800 |
| Chain | Residue |
| B | SER18 |
| B | PRO19 |
| B | LYS20 |
| B | PHE21 |
| B | ASP100 |
| B | PHE104 |
| B | TYR110 |
| B | PHE151 |
| B | TYR153 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMF B 801 |
| Chain | Residue |
| B | TYR7 |
| B | ASP30 |
| B | ILE38 |
| B | HOH2018 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMF B 802 |
| Chain | Residue |
| A | ASP93 |
| A | SER94 |
| B | ARG43 |
| B | HOH2016 |
| site_id | BC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 901 |
| Chain | Residue |
| B | ALA58 |
| B | ALA61 |
| B | LEU119 |
| B | LEU159 |
| B | HIS162 |
| B | ARG163 |
| B | HOH2019 |
| B | HOH2043 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 902 |
| Chain | Residue |
| B | HIS189 |
| B | GLU194 |
| B | GLY220 |
| B | THR221 |
| B | ILE232 |
| B | PHE233 |
| B | LEU234 |
| B | ASN246 |
| B | HOH2059 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 500 |
| Chain | Residue |
| C | ASP186 |
| C | HIS188 |
| C | ASP285 |
| C | 9Z8700 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K C 600 |
| Chain | Residue |
| C | ASP184 |
| C | ASP186 |
| C | HIS188 |
| C | SER207 |
| C | VAL208 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K C 601 |
| Chain | Residue |
| C | PHE197 |
| C | SER200 |
| C | VAL203 |
| C | SER243 |
| C | HOH2065 |
| site_id | CC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 9Z8 C 700 |
| Chain | Residue |
| C | TYR99 |
| C | ASP100 |
| C | HIS141 |
| C | HIS142 |
| C | GLY150 |
| C | PHE151 |
| C | ASP186 |
| C | HIS188 |
| C | PHE216 |
| C | TYR341 |
| C | ZN500 |
| C | HOH2044 |
| C | HOH2102 |
| site_id | CC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE DMF C 800 |
| Chain | Residue |
| C | SER18 |
| C | PRO19 |
| C | LYS20 |
| C | PHE21 |
| C | ASP100 |
| C | PHE104 |
| C | TYR110 |
| C | PHE151 |
| C | TYR153 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMF C 801 |
| Chain | Residue |
| C | TYR7 |
| C | MET29 |
| C | ASP30 |
| C | ASN33 |
| C | ILE38 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMF C 802 |
| Chain | Residue |
| C | ARG43 |
| C | HOH2022 |
| D | ASP93 |
| D | SER94 |
| D | SER96 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMF C 803 |
| Chain | Residue |
| C | GLU131 |
| C | LYS330 |
| C | VAL331 |
| C | VAL361 |
| site_id | CC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 900 |
| Chain | Residue |
| C | CYS15 |
| C | PHE21 |
| C | GLY22 |
| C | ARG24 |
| C | TYR25 |
| C | TYR110 |
| C | TRP136 |
| C | TRP140 |
| C | HOH2008 |
| site_id | CC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 901 |
| Chain | Residue |
| C | HIS189 |
| C | GLU194 |
| C | THR219 |
| C | GLY220 |
| C | THR221 |
| C | PHE233 |
| C | LEU234 |
| C | HOH2076 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 902 |
| Chain | Residue |
| C | TYR301 |
| C | ARG352 |
| C | MET366 |
| C | THR367 |
| C | ILE368 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 500 |
| Chain | Residue |
| D | ASP186 |
| D | HIS188 |
| D | ASP285 |
| D | 9Z8700 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K D 600 |
| Chain | Residue |
| D | PHE197 |
| D | SER200 |
| D | VAL203 |
| D | SER243 |
| D | HOH2046 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K D 601 |
| Chain | Residue |
| D | ASP184 |
| D | ASP186 |
| D | HIS188 |
| D | SER207 |
| D | VAL208 |
| site_id | DC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 9Z8 D 700 |
| Chain | Residue |
| D | TYR99 |
| D | ASP100 |
| D | HIS141 |
| D | HIS142 |
| D | GLY150 |
| D | PHE151 |
| D | ASP186 |
| D | HIS188 |
| D | PHE216 |
| D | TYR341 |
| D | ZN500 |
| site_id | DC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE DMF D 800 |
| Chain | Residue |
| D | SER18 |
| D | PRO19 |
| D | LYS20 |
| D | PHE21 |
| D | ASP100 |
| D | PHE104 |
| D | TYR110 |
| D | PHE151 |
| D | TYR153 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMF D 801 |
| Chain | Residue |
| D | GLU131 |
| D | VAL132 |
| D | LYS330 |
| D | VAL331 |
| D | VAL361 |
| site_id | DC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL D 900 |
| Chain | Residue |
| D | HIS189 |
| D | GLU194 |
| D | THR219 |
| D | GLY220 |
| D | THR221 |
| D | ASN223 |
| D | ILE232 |
| D | PHE233 |
| D | LEU234 |
| D | ASN246 |
| site_id | DC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL D 901 |
| Chain | Residue |
| C | PRO291 |
| C | HIS292 |
| D | SER51 |
| D | ARG54 |
