4BZ9
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
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 | 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 | 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 | 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 | 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 | KMY700 |
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 | HOH2086 |
site_id | AC4 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE KMY A 700 |
Chain | Residue |
A | LYS20 |
A | PHE21 |
A | ASP100 |
A | HIS141 |
A | HIS142 |
A | GLY150 |
A | ASP186 |
A | HIS188 |
A | PHE216 |
A | ASP285 |
A | GLY339 |
A | TYR341 |
A | ZN500 |
A | HOH2122 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE KMY A 701 |
Chain | Residue |
A | GLU131 |
A | VAL132 |
A | LEU327 |
A | LYS330 |
A | VAL331 |
A | VAL361 |
site_id | AC6 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE DMF A 901 |
Chain | Residue |
A | TYR7 |
A | ILE38 |
A | PRO39 |
A | LEU41 |
A | SER42 |
A | ARG43 |
B | LEU90 |
B | ASP93 |
B | SER94 |
site_id | AC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN B 500 |
Chain | Residue |
B | ASP186 |
B | HIS188 |
B | ASP285 |
B | KMY700 |
site_id | AC8 |
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 | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE K B 601 |
Chain | Residue |
B | PHE197 |
B | SER200 |
B | VAL203 |
B | SER243 |
B | HOH2082 |
site_id | BC1 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE KMY B 700 |
Chain | Residue |
B | LYS20 |
B | PHE21 |
B | ASP100 |
B | HIS141 |
B | HIS142 |
B | GLY150 |
B | ASP186 |
B | HIS188 |
B | PHE216 |
B | ASP285 |
B | GLY339 |
B | TYR341 |
B | ZN500 |
B | HOH2061 |
B | HOH2120 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE KMY B 701 |
Chain | Residue |
B | GLU131 |
B | VAL132 |
B | LEU327 |
B | LYS330 |
B | VAL331 |
B | VAL361 |
site_id | BC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL B 800 |
Chain | Residue |
B | HIS189 |
B | GLU194 |
B | GLY220 |
B | THR221 |
B | PHE233 |
B | LEU234 |
B | ASN246 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN C 500 |
Chain | Residue |
C | ASP186 |
C | HIS188 |
C | ASP285 |
C | KMY700 |
site_id | BC5 |
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 | BC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE K C 601 |
Chain | Residue |
C | PHE197 |
C | SER200 |
C | VAL203 |
C | SER243 |
site_id | BC7 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE KMY C 700 |
Chain | Residue |
C | PHE21 |
C | ASP100 |
C | HIS141 |
C | HIS142 |
C | GLY150 |
C | ASP186 |
C | HIS188 |
C | PHE216 |
C | ASP285 |
C | GLY339 |
C | TYR341 |
C | ZN500 |
C | HOH2070 |
C | HOH2137 |
C | LYS20 |
site_id | BC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE KMY C 701 |
Chain | Residue |
C | GLU131 |
C | LEU327 |
C | LYS330 |
C | VAL331 |
C | PRO332 |
C | VAL361 |
site_id | BC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE DMF C 900 |
Chain | Residue |
C | CYS15 |
C | PHE21 |
C | GLY22 |
C | ARG24 |
C | TYR25 |
C | TYR110 |
site_id | CC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMF C 901 |
Chain | Residue |
C | TYR301 |
C | ARG352 |
C | LEU356 |
C | GLU359 |
C | MET366 |
site_id | CC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE DMF C 902 |
Chain | Residue |
A | THR85 |
C | TYR35 |
C | LYS36 |
C | LYS365 |
C | MET366 |
C | THR367 |
C | HOH2157 |
site_id | CC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN D 500 |
Chain | Residue |
D | ASP186 |
D | HIS188 |
D | ASP285 |
D | KMY700 |
site_id | CC4 |
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 | CC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE K D 601 |
Chain | Residue |
D | PHE197 |
D | SER200 |
D | VAL203 |
D | SER243 |
D | HOH2084 |
site_id | CC6 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE KMY D 700 |
Chain | Residue |
D | PHE21 |
D | ASP100 |
D | HIS141 |
D | HIS142 |
D | GLY150 |
D | ASP186 |
D | HIS188 |
D | PHE216 |
D | ASP285 |
D | GLY339 |
D | TYR341 |
D | ZN500 |
D | HOH2112 |
site_id | CC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE KMY D 701 |
Chain | Residue |
D | GLU131 |
D | VAL132 |
D | LEU327 |
D | LYS330 |
D | VAL331 |
D | HOH2030 |
site_id | CC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL D 800 |
Chain | Residue |
D | HIS189 |
D | GLU194 |
D | THR219 |
D | GLY220 |
D | THR221 |
D | PHE233 |
D | LEU234 |
D | HOH2093 |
site_id | CC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMF D 900 |
Chain | Residue |
C | ARG43 |
C | HOH2033 |
D | ASP93 |
D | SER94 |
D | SER96 |
site_id | DC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE DMF D 901 |
Chain | Residue |
B | TYR35 |
B | LYS36 |
B | LYS365 |
B | MET366 |
B | THR367 |
B | HOH2141 |
D | THR85 |