6GX3
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1
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 | 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 |
| B | 0004407 | molecular_function | histone deacetylase activity |
| B | 0005634 | cellular_component | nucleus |
| B | 0006325 | biological_process | chromatin organization |
| 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 |
| C | 0004407 | molecular_function | histone deacetylase activity |
| C | 0005634 | cellular_component | nucleus |
| C | 0006325 | biological_process | chromatin organization |
| 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 |
| D | 0004407 | molecular_function | histone deacetylase activity |
| D | 0005634 | cellular_component | nucleus |
| D | 0006325 | biological_process | chromatin organization |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 501 |
| Chain | Residue |
| A | ASP186 |
| A | HIS188 |
| A | ASP285 |
| A | FF2504 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue K A 502 |
| Chain | Residue |
| A | ASP184 |
| A | ASP186 |
| A | HIS188 |
| A | SER207 |
| A | VAL208 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue K A 503 |
| Chain | Residue |
| A | PHE197 |
| A | SER200 |
| A | VAL203 |
| A | SER243 |
| A | HOH633 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | binding site for residue FF2 A 504 |
| Chain | Residue |
| A | ASP100 |
| A | HIS141 |
| A | HIS142 |
| A | GLY150 |
| A | PHE151 |
| A | ASP186 |
| A | HIS188 |
| A | PHE216 |
| A | ASP285 |
| A | HIS292 |
| A | GLY339 |
| A | TYR341 |
| A | ZN501 |
| B | ASP50 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue FF2 A 505 |
| Chain | Residue |
| A | GLU131 |
| A | LEU327 |
| A | LYS330 |
| A | VAL331 |
| A | PRO332 |
| A | VAL361 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 506 |
| Chain | Residue |
| A | TYR110 |
| A | SER111 |
| A | ALA114 |
| A | TRP140 |
| A | PHE151 |
| A | CYS152 |
| A | TYR153 |
| A | LEU154 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 507 |
| Chain | Residue |
| A | HIS189 |
| A | GLU194 |
| A | THR219 |
| A | GLY220 |
| A | THR221 |
| A | ASN223 |
| A | PHE233 |
| A | LEU234 |
| A | ASN246 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 501 |
| Chain | Residue |
| B | ASP186 |
| B | HIS188 |
| B | ASP285 |
| B | FF2504 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue K B 502 |
| Chain | Residue |
| B | PHE197 |
| B | SER200 |
| B | VAL203 |
| B | SER243 |
| B | HOH670 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue K B 503 |
| Chain | Residue |
| B | ASP184 |
| B | ASP186 |
| B | HIS188 |
| B | SER207 |
| B | VAL208 |
| site_id | AD2 |
| Number of Residues | 12 |
| Details | binding site for residue FF2 B 504 |
| Chain | Residue |
| A | ASP50 |
| B | ASP100 |
| B | HIS141 |
| B | HIS142 |
| B | PHE151 |
| B | ASP186 |
| B | HIS188 |
| B | PHE216 |
| B | ASP285 |
| B | GLY339 |
| B | TYR341 |
| B | ZN501 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue FF2 B 505 |
| Chain | Residue |
| B | GLU131 |
| B | LEU327 |
| B | LYS330 |
| B | VAL331 |
| B | VAL361 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 506 |
| Chain | Residue |
| B | LEU234 |
| B | ASN235 |
| B | GLY236 |
| B | ARG241 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 507 |
| Chain | Residue |
| B | HIS189 |
| B | GLU194 |
| B | GLY220 |
| B | THR221 |
| B | PHE233 |
| B | LEU234 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue DMF B 508 |
| Chain | Residue |
| B | TYR301 |
| B | ARG352 |
| B | ALA355 |
| B | LEU356 |
| B | GLU359 |
| B | MET366 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 501 |
| Chain | Residue |
| C | HIS188 |
| C | ASP285 |
| C | FF2504 |
| C | ASP186 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue K C 502 |
| Chain | Residue |
| C | PHE197 |
| C | SER200 |
| C | VAL203 |
| C | SER243 |
| C | HOH680 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue K C 503 |
| Chain | Residue |
| C | ASP184 |
| C | ASP186 |
| C | HIS188 |
| C | SER207 |
| C | VAL208 |
| site_id | AE1 |
| Number of Residues | 12 |
| Details | binding site for residue FF2 C 504 |
| Chain | Residue |
| C | HIS141 |
| C | HIS142 |
| C | GLY150 |
| C | PHE151 |
| C | ASP186 |
| C | HIS188 |
| C | PHE216 |
| C | ASP285 |
| C | HIS292 |
| C | GLY339 |
| C | TYR341 |
| C | ZN501 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue FF2 C 505 |
| Chain | Residue |
| C | GLU131 |
| C | VAL132 |
| C | LEU327 |
| C | LYS330 |
| C | VAL331 |
| C | VAL361 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue GOL C 506 |
| Chain | Residue |
| C | HIS189 |
| C | GLU194 |
| C | THR219 |
| C | GLY220 |
| C | THR221 |
| C | PHE233 |
| C | LEU234 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 507 |
| Chain | Residue |
| C | GLN10 |
| C | TYR11 |
| C | LEU14 |
| C | GLN116 |
| C | HOH633 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue DMF C 508 |
| Chain | Residue |
| C | TYR7 |
| C | ARG12 |
| C | ASP30 |
| C | ILE38 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 501 |
| Chain | Residue |
| D | ASP186 |
| D | HIS188 |
| D | ASP285 |
| D | FF2504 |
| site_id | AE7 |
| Number of Residues | 5 |
| Details | binding site for residue K D 502 |
| Chain | Residue |
| D | PHE197 |
| D | SER200 |
| D | VAL203 |
| D | SER243 |
| D | HOH659 |
| site_id | AE8 |
| Number of Residues | 5 |
| Details | binding site for residue K D 503 |
| Chain | Residue |
| D | ASP184 |
| D | ASP186 |
| D | HIS188 |
| D | SER207 |
| D | VAL208 |
| site_id | AE9 |
| Number of Residues | 14 |
| Details | binding site for residue FF2 D 504 |
| Chain | Residue |
| C | ASP50 |
| D | ASP100 |
| D | HIS141 |
| D | HIS142 |
| D | GLY150 |
| D | PHE151 |
| D | ASP186 |
| D | HIS188 |
| D | PHE216 |
| D | ASP285 |
| D | HIS292 |
| D | GLY339 |
| D | TYR341 |
| D | ZN501 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue FF2 D 505 |
| Chain | Residue |
| D | GLU131 |
| D | LYS330 |
| D | VAL331 |
| D | PRO332 |
