4BZ7
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| A | 0004407 | molecular_function | histone deacetylase activity |
| A | 0005634 | cellular_component | nucleus |
| A | 0006338 | biological_process | chromatin remodeling |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| B | 0004407 | molecular_function | histone deacetylase activity |
| B | 0005634 | cellular_component | nucleus |
| B | 0006338 | biological_process | chromatin remodeling |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| C | 0004407 | molecular_function | histone deacetylase activity |
| C | 0005634 | cellular_component | nucleus |
| C | 0006338 | biological_process | chromatin remodeling |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| D | 0004407 | molecular_function | histone deacetylase activity |
| D | 0005634 | cellular_component | nucleus |
| D | 0006338 | biological_process | chromatin remodeling |
| 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 500 |
| Chain | Residue |
| A | ASP186 |
| A | HIS188 |
| A | ASP285 |
| A | B3N700 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K A 600 |
| 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 601 |
| Chain | Residue |
| A | PHE197 |
| A | SER200 |
| A | VAL203 |
| A | SER243 |
| A | HOH2209 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE B3N 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 |
| A | HOH2183 |
| B | PRO45 |
| B | PRO46 |
| B | GLN48 |
| B | HOH2053 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE B3N A 701 |
| Chain | Residue |
| A | GLU131 |
| A | LEU327 |
| A | LYS330 |
| A | VAL331 |
| A | PRO332 |
| A | GLU360 |
| A | VAL361 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 800 |
| Chain | Residue |
| A | ASN98 |
| A | TYR99 |
| A | ASP100 |
| A | CYS101 |
| A | SER149 |
| A | GLY150 |
| A | PHE216 |
| A | HOH2158 |
| A | HOH2191 |
| B | HOH2048 |
| B | HOH2053 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 801 |
| Chain | Residue |
| A | GLU147 |
| A | HOH2191 |
| A | HOH2230 |
| A | HOH2330 |
| B | ARG43 |
| B | PRO45 |
| B | PRO46 |
| B | HOH2009 |
| B | HOH2051 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 802 |
| Chain | Residue |
| A | HIS189 |
| A | GLU194 |
| A | THR219 |
| A | GLY220 |
| A | THR221 |
| A | ILE232 |
| A | PHE233 |
| A | LEU234 |
| A | ASN246 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 500 |
| Chain | Residue |
| B | ASP186 |
| B | HIS188 |
| B | ASP285 |
| B | B3N700 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K B 600 |
| Chain | Residue |
| B | ASP184 |
| B | ASP186 |
| B | HIS188 |
| B | SER207 |
| B | VAL208 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K B 601 |
| Chain | Residue |
| B | PHE197 |
| B | SER200 |
| B | VAL203 |
| B | SER243 |
| B | HOH2150 |
| site_id | BC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE B3N B 700 |
| Chain | Residue |
| A | PRO45 |
| A | PRO46 |
| A | LEU47 |
| A | GLN48 |
| A | HOH2082 |
| B | TYR99 |
| B | ASP100 |
| B | HIS141 |
| B | HIS142 |
| B | GLY150 |
| B | ASP186 |
| B | HIS188 |
| B | PHE216 |
| B | ASP285 |
| B | TYR341 |
| B | ZN500 |
| B | HOH2119 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE B3N B 701 |
| Chain | Residue |
| B | LYS330 |
| B | VAL331 |
| B | GLU360 |
| B | VAL361 |
| C | LYS330 |
| C | HOH2230 |
| B | GLU131 |
| site_id | BC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 800 |
| Chain | Residue |
| B | CYS15 |
| B | PHE21 |
| B | ARG24 |
| B | TYR25 |
| B | TYR110 |
| B | GLY137 |
| B | TRP140 |
| B | HOH2015 |
| B | HOH2017 |
| B | HOH2029 |
| site_id | BC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL B 801 |
| Chain | Residue |
| A | HOH2079 |
| A | HOH2082 |
| B | ASN98 |
| B | TYR99 |
| B | ASP100 |
| B | CYS101 |
| B | SER149 |
| B | GLY150 |
| B | PHE216 |
| B | HOH2097 |
| B | HOH2135 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 802 |
| Chain | Residue |
| B | HIS189 |
| B | GLU194 |
| B | GLY220 |
| B | THR221 |
| B | PHE233 |
| B | LEU234 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 500 |
| Chain | Residue |
| C | ASP186 |
| C | HIS188 |
| C | ASP285 |
| C | B3N700 |
| site_id | BC9 |
| 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 | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K C 601 |
| Chain | Residue |
| C | PHE197 |
| C | SER200 |
| C | VAL203 |
| C | SER243 |
| C | HOH2153 |
| site_id | CC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE B3N C 700 |
| Chain | Residue |
| C | ASP100 |
| C | HIS141 |
| C | HIS142 |
| C | GLY150 |
| C | PHE151 |
| C | ASP186 |
| C | HIS188 |
| C | PHE216 |
| C | ASP285 |
| C | TYR341 |
| C | ZN500 |
| C | HOH2124 |
| C | HOH2301 |
| D | PRO45 |
| D | PRO46 |
| D | LEU47 |
| D | GLN48 |
| D | SER123 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE B3N C 701 |
| Chain | Residue |
| B | LYS330 |
| B | HOH2221 |
| C | GLU131 |
| C | LYS330 |
| C | VAL331 |
| C | GLU360 |
| C | VAL361 |
| site_id | CC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL C 800 |
| Chain | Residue |
| C | ASN98 |
| C | TYR99 |
| C | ASP100 |
| C | CYS101 |
| C | SER149 |
| C | GLY150 |
| C | PHE216 |
| C | HOH2099 |
| C | HOH2101 |
| C | HOH2134 |
| C | HOH2301 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 801 |
| Chain | Residue |
| C | GLU147 |
| C | HOH2134 |
| C | HOH2168 |
| C | HOH2302 |
| C | HOH2303 |
| D | ARG43 |
| D | PRO45 |
| D | PRO46 |
| site_id | CC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 802 |
| Chain | Residue |
| C | HIS189 |
| C | GLU194 |
| C | THR219 |
| C | GLY220 |
| C | THR221 |
| C | PHE233 |
| C | LEU234 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 803 |
| Chain | Residue |
| A | LYS82 |
| C | TYR35 |
| C | LYS36 |
| C | LEU37 |
| C | MET366 |
| C | THR367 |
| C | HOH2042 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 500 |
| Chain | Residue |
| D | ASP186 |
| D | HIS188 |
| D | ASP285 |
| D | B3N700 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K D 600 |
| Chain | Residue |
| D | ASP184 |
| D | ASP186 |
| D | HIS188 |
| D | SER207 |
| D | VAL208 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K D 601 |
| Chain | Residue |
| D | PHE197 |
| D | SER200 |
| D | VAL203 |
| D | SER243 |
| D | HOH2141 |
| site_id | DC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE B3N D 700 |
| Chain | Residue |
| C | PRO45 |
| C | PRO46 |
| C | LEU47 |
| C | GLN48 |
| C | HOH2053 |
| D | TYR99 |
| D | ASP100 |
| D | HIS141 |
| D | HIS142 |
| D | GLY150 |
| D | ASP186 |
| D | HIS188 |
| D | PHE216 |
| D | ASP285 |
| D | TYR341 |
| D | ZN500 |
| D | HOH2118 |
| site_id | DC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE B3N D 701 |
| Chain | Residue |
| A | ARG296 |
| D | GLU131 |
| D | LEU327 |
| D | LYS330 |
| D | VAL331 |
| D | GLU360 |
| D | VAL361 |
| site_id | DC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 800 |
| Chain | Residue |
| D | CYS15 |
| D | PHE21 |
| D | ARG24 |
| D | TYR25 |
| D | TYR110 |
| D | GLY137 |
| D | TRP140 |
| D | HOH2014 |
| D | HOH2024 |
| site_id | DC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL D 801 |
| Chain | Residue |
| C | HOH2053 |
| D | ASN98 |
| D | TYR99 |
| D | ASP100 |
| D | CYS101 |
| D | SER149 |
| D | GLY150 |
| D | PHE216 |
| D | HOH2095 |
| D | HOH2124 |
| D | HOH2244 |
| site_id | DC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 802 |
| Chain | Residue |
| C | ARG43 |
| C | PRO45 |
| C | HOH2050 |
| D | GLU147 |
| D | HOH2124 |
| D | HOH2159 |
| D | HOH2245 |
| site_id | DC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 803 |
| Chain | Residue |
| D | HIS189 |
| D | GLU194 |
| D | THR219 |
| D | GLY220 |
| D | THR221 |
| D | ILE232 |
| D | PHE233 |
| D | LEU234 |
