6HQY
Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051
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 |
| 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 | 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 | 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 | 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 501 |
| Chain | Residue |
| A | ASP186 |
| A | HIS188 |
| A | ASP285 |
| A | GKW504 |
| 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 | HOH632 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | binding site for residue GKW A 504 |
| Chain | Residue |
| A | LYS20 |
| A | HIS141 |
| A | HIS142 |
| A | ASP186 |
| A | HIS188 |
| A | PHE216 |
| A | ASP285 |
| A | PRO291 |
| A | HIS292 |
| A | TYR341 |
| A | ZN501 |
| B | ASP50 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 505 |
| Chain | Residue |
| A | SER96 |
| A | ASN98 |
| A | TYR99 |
| A | ASP100 |
| A | SER149 |
| A | GLY150 |
| A | PHE216 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | binding site for residue GOL A 506 |
| Chain | Residue |
| A | HIS188 |
| A | HIS189 |
| A | HIS210 |
| A | ALA211 |
| A | SER212 |
| A | PHE215 |
| A | PHE216 |
| A | PRO217 |
| A | GLY218 |
| A | THR219 |
| A | HOH606 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 507 |
| Chain | Residue |
| A | HIS189 |
| A | GLU194 |
| A | THR219 |
| A | GLY220 |
| A | THR221 |
| A | ASN223 |
| A | LEU234 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 501 |
| Chain | Residue |
| B | ASP186 |
| B | HIS188 |
| B | ASP285 |
| B | GKW504 |
| 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 | HOH639 |
| 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 | 11 |
| Details | binding site for residue GKW B 504 |
| Chain | Residue |
| A | ASP50 |
| B | LYS20 |
| B | HIS141 |
| B | HIS142 |
| B | ASP186 |
| B | HIS188 |
| B | PHE216 |
| B | ASP285 |
| B | GLY339 |
| B | TYR341 |
| B | ZN501 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 505 |
| Chain | Residue |
| B | CYS15 |
| B | PHE21 |
| B | GLY22 |
| B | ASP23 |
| B | ARG24 |
| B | TYR25 |
| B | TYR110 |
| B | TRP136 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 501 |
| Chain | Residue |
| C | ASP186 |
| C | HIS188 |
| C | ASP285 |
| C | GKW504 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue K C 502 |
| Chain | Residue |
| C | ASP184 |
| C | ASP186 |
| C | HIS188 |
| C | SER207 |
| C | VAL208 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue K C 503 |
| Chain | Residue |
| C | PHE197 |
| C | SER200 |
| C | VAL203 |
| C | SER243 |
| C | HOH634 |
| site_id | AD7 |
| Number of Residues | 10 |
| Details | binding site for residue GKW C 504 |
| Chain | Residue |
| C | HIS141 |
| C | HIS142 |
| C | ASP186 |
| C | HIS188 |
| C | PHE216 |
| C | ASP285 |
| C | TYR341 |
| C | ZN501 |
| D | ASP50 |
| C | LYS20 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue GOL C 505 |
| Chain | Residue |
| C | CYS15 |
| C | PHE21 |
| C | GLY22 |
| C | ASP23 |
| C | ARG24 |
| C | TYR25 |
| C | TRP136 |
| C | TRP140 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 501 |
| Chain | Residue |
| D | ASP186 |
| D | HIS188 |
| D | ASP285 |
| D | GKW504 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue K D 502 |
| Chain | Residue |
| D | ASP184 |
| D | ASP186 |
| D | HIS188 |
| D | SER207 |
| D | VAL208 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue K D 503 |
| Chain | Residue |
| D | PHE197 |
| D | SER200 |
| D | VAL203 |
| D | SER243 |
| D | HOH624 |
| site_id | AE3 |
| Number of Residues | 11 |
| Details | binding site for residue GKW D 504 |
| Chain | Residue |
| C | ASP50 |
| D | HIS141 |
| D | HIS142 |
| D | ASP186 |
| D | HIS188 |
| D | PHE216 |
| D | ASP285 |
| D | PRO291 |
| D | HIS292 |
| D | TYR341 |
| D | ZN501 |
| site_id | AE4 |
| Number of Residues | 10 |
| Details | binding site for residue GOL D 505 |
| Chain | Residue |
| D | HIS188 |
| D | HIS189 |
| D | HIS210 |
| D | ALA211 |
| D | SER212 |
| D | PHE215 |
| D | PHE216 |
| D | PRO217 |
| D | GLY218 |
| D | THR219 |
