6HTZ
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8
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 501 |
| Chain | Residue |
| A | ASP186 |
| A | HIS188 |
| A | ASP285 |
| A | GRK504 |
| 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 | HOH710 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | binding site for residue GRK A 504 |
| Chain | Residue |
| A | LYS20 |
| A | ASP100 |
| A | HIS141 |
| A | HIS142 |
| A | GLY150 |
| A | ASP186 |
| A | HIS188 |
| A | PHE216 |
| A | ASP285 |
| A | HIS292 |
| A | TYR341 |
| A | ZN501 |
| B | ASP50 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue DMF A 505 |
| Chain | Residue |
| A | TYR301 |
| A | ARG352 |
| A | GLU359 |
| A | MET366 |
| A | HOH605 |
| A | HOH680 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue DMF A 506 |
| Chain | Residue |
| A | ASP93 |
| A | SER94 |
| A | SER96 |
| B | TYR7 |
| B | ARG43 |
| B | HOH757 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue DMF A 507 |
| Chain | Residue |
| A | GLU131 |
| A | LYS330 |
| A | VAL331 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue DMF A 508 |
| Chain | Residue |
| A | TRP198 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 509 |
| Chain | Residue |
| A | HIS189 |
| A | GLU194 |
| A | THR219 |
| A | GLY220 |
| A | THR221 |
| A | LEU234 |
| site_id | AD1 |
| Number of Residues | 9 |
| Details | binding site for residue DMF A 510 |
| Chain | Residue |
| A | TYR7 |
| A | PRO39 |
| A | LEU41 |
| A | SER42 |
| A | ARG43 |
| A | HOH648 |
| B | LEU90 |
| B | ASP93 |
| B | SER94 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 501 |
| Chain | Residue |
| B | ASP186 |
| B | HIS188 |
| B | ASP285 |
| B | GRK504 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue K B 502 |
| Chain | Residue |
| B | ASP184 |
| B | ASP186 |
| B | HIS188 |
| B | SER207 |
| B | VAL208 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue K B 503 |
| Chain | Residue |
| B | PHE197 |
| B | SER200 |
| B | VAL203 |
| B | SER243 |
| B | HOH775 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue GRK B 504 |
| Chain | Residue |
| A | ASP50 |
| B | LYS20 |
| B | ASP100 |
| B | HIS141 |
| B | HIS142 |
| B | GLY150 |
| B | ASP186 |
| B | HIS188 |
| B | PHE216 |
| B | ASP285 |
| B | HIS292 |
| B | TYR341 |
| B | ZN501 |
| B | HOH710 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue DMF B 505 |
| Chain | Residue |
| B | TYR301 |
| B | ARG352 |
| B | LEU356 |
| B | GLU359 |
| B | MET366 |
| B | HOH688 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue DMF B 506 |
| Chain | Residue |
| B | TYR7 |
| B | ASP30 |
| B | ILE38 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue DMF B 507 |
| Chain | Residue |
| B | ARG12 |
| B | GLN13 |
| B | TYR377 |
| B | HOH603 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue DMF B 508 |
| Chain | Residue |
| B | GLN10 |
| B | PRO46 |
| B | GLN48 |
| B | GLN116 |
| B | HOH611 |
| B | HOH689 |
| B | HOH779 |
| site_id | AE1 |
| Number of Residues | 7 |
| Details | binding site for residue DMF B 509 |
| Chain | Residue |
| B | TYR35 |
| B | LYS36 |
| B | LYS365 |
| B | MET366 |
| B | THR367 |
| B | HOH644 |
| D | THR85 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue DMF B 510 |
| Chain | Residue |
| B | GLU131 |
| B | LYS330 |
| B | VAL331 |
| B | PRO332 |
| B | HOH715 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue DMF B 511 |
| Chain | Residue |
| B | TRP198 |
| D | GLU371 |
| D | HOH797 |
| site_id | AE4 |
| Number of Residues | 3 |
| Details | binding site for residue DMF B 512 |
| Chain | Residue |
| B | ILE253 |
| B | ASP402 |
| B | ILE404 |
| site_id | AE5 |
| Number of Residues | 5 |
| Details | binding site for residue DMF B 513 |
| Chain | Residue |
| B | LYS324 |
| B | LYS325 |
| B | SER328 |
| B | HOH670 |
| B | HOH693 |
| site_id | AE6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 514 |
| Chain | Residue |
| B | HIS189 |
| B | GLU194 |
| B | GLY220 |
| B | THR221 |
| B | PHE233 |
| B | LEU234 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 501 |
| Chain | Residue |
| C | ASP186 |
| C | HIS188 |
| C | ASP285 |
| C | GRK504 |
| site_id | AE8 |
| 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 | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue K C 503 |
| Chain | Residue |
| C | PHE197 |
| C | SER200 |
| C | VAL203 |
| C | SER243 |
| C | HOH759 |
| site_id | AF1 |
| Number of Residues | 14 |
| Details | binding site for residue GRK C 504 |
| Chain | Residue |
| C | LYS20 |
| C | ASP100 |
| C | HIS141 |
| C | HIS142 |
| C | GLY150 |
| C | ASP186 |
| C | HIS188 |
| C | PHE216 |
| C | ASP285 |
| C | HIS292 |
| C | TYR341 |
| C | ZN501 |
| D | ASP50 |
| D | HOH607 |
| site_id | AF2 |
| Number of Residues | 5 |
| Details | binding site for residue DMF C 505 |
| Chain | Residue |
| C | TYR301 |
| C | ARG352 |
| C | GLU359 |
| C | MET366 |
| C | ILE368 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue DMF C 506 |
| Chain | Residue |
| C | GLU131 |
| C | VAL132 |
| C | LYS330 |
| C | VAL331 |
| C | HOH687 |
| site_id | AF4 |
| Number of Residues | 2 |
| Details | binding site for residue DMF C 507 |
| Chain | Residue |
| C | TRP198 |
| C | HOH788 |
| site_id | AF5 |
| Number of Residues | 2 |
| Details | binding site for residue DMF C 508 |
| Chain | Residue |
| C | ASP402 |
| C | HOH636 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue DMF C 509 |
| Chain | Residue |
| C | ALA211 |
| C | THR221 |
| C | TRP222 |
| C | HIS407 |
| C | HOH733 |
| site_id | AF7 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 510 |
| Chain | Residue |
| C | GLN10 |
| C | GLN48 |
| C | GLN116 |
| C | HOH664 |
| site_id | AF8 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 511 |
| Chain | Residue |
| C | HIS189 |
| C | GLU194 |
| C | GLY220 |
| C | THR221 |
| C | PHE233 |
| C | LEU234 |
| site_id | AF9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 501 |
| Chain | Residue |
| D | ASP186 |
| D | HIS188 |
| D | ASP285 |
| D | GRK504 |
| site_id | AG1 |
| 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 | AG2 |
| Number of Residues | 5 |
| Details | binding site for residue K D 503 |
| Chain | Residue |
| D | PHE197 |
| D | SER200 |
| D | VAL203 |
| D | SER243 |
| D | HOH736 |
| site_id | AG3 |
| Number of Residues | 15 |
| Details | binding site for residue GRK D 504 |
| Chain | Residue |
| C | ASP50 |
| D | LYS20 |
| D | ASP100 |
| D | HIS141 |
| D | HIS142 |
| D | GLY150 |
| D | ASP186 |
| D | HIS188 |
| D | PHE216 |
| D | ASP285 |
| D | HIS292 |
| D | TYR341 |
| D | ZN501 |
| D | HOH663 |
| D | HOH752 |
| site_id | AG4 |
| Number of Residues | 3 |
| Details | binding site for residue DMF D 505 |
| Chain | Residue |
| D | ALA61 |
| D | HIS162 |
| D | ALA196 |
| site_id | AG5 |
| Number of Residues | 4 |
| Details | binding site for residue DMF D 506 |
| Chain | Residue |
| D | GLU131 |
| D | VAL132 |
| D | LYS330 |
| D | VAL331 |
| site_id | AG6 |
| Number of Residues | 4 |
| Details | binding site for residue DMF D 507 |
| Chain | Residue |
| D | ARG12 |
| D | GLN13 |
| D | TYR377 |
| D | HOH624 |
| site_id | AG7 |
| Number of Residues | 5 |
| Details | binding site for residue DMF D 508 |
| Chain | Residue |
| D | TYR301 |
| D | ALA355 |
| D | LEU356 |
| D | GLU359 |
| D | MET366 |
| site_id | AG8 |
| Number of Residues | 6 |
| Details | binding site for residue DMF D 509 |
| Chain | Residue |
| C | TYR7 |
| C | ARG43 |
| C | HOH743 |
| D | ASP93 |
| D | SER94 |
| D | SER96 |
| site_id | AG9 |
| Number of Residues | 7 |
| Details | binding site for residue DMF D 510 |
| Chain | Residue |
| D | ALA211 |
| D | THR221 |
| D | TRP222 |
| D | PRO248 |
| D | GLU250 |
| D | HIS407 |
| D | HOH730 |
| site_id | AH1 |
| Number of Residues | 7 |
| Details | binding site for residue GOL D 511 |
| Chain | Residue |
| C | GLY214 |
| C | HOH624 |
| D | GLN10 |
| D | TYR11 |
| D | GLN48 |
| D | GLN116 |
| D | HOH604 |
| site_id | AH2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 512 |
| Chain | Residue |
| D | HIS189 |
| D | GLU194 |
| D | THR219 |
| D | GLY220 |
| D | THR221 |
| D | LEU234 |
