6HSH
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
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 | GOK504 |
site_id | AC2 |
Number of Residues | 5 |
Details | binding site for residue K A 502 |
Chain | Residue |
A | PHE197 |
A | SER200 |
A | VAL203 |
A | SER243 |
A | HOH750 |
site_id | AC3 |
Number of Residues | 5 |
Details | binding site for residue K A 503 |
Chain | Residue |
A | ASP184 |
A | ASP186 |
A | HIS188 |
A | SER207 |
A | VAL208 |
site_id | AC4 |
Number of Residues | 15 |
Details | binding site for residue GOK A 504 |
Chain | Residue |
A | ASP100 |
A | HIS141 |
A | HIS142 |
A | GLY150 |
A | PHE151 |
A | ASP186 |
A | HIS188 |
A | PHE216 |
A | ASP285 |
A | TYR341 |
A | ZN501 |
A | HOH697 |
A | HOH786 |
B | GLN48 |
B | ASP50 |
site_id | AC5 |
Number of Residues | 3 |
Details | binding site for residue DMF A 505 |
Chain | Residue |
A | ARG12 |
A | GLN13 |
A | TYR377 |
site_id | AC6 |
Number of Residues | 8 |
Details | binding site for residue DMF A 506 |
Chain | Residue |
A | PRO19 |
A | LYS20 |
A | PHE21 |
A | ASP100 |
A | PHE104 |
A | TYR110 |
A | PHE151 |
A | TYR153 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue DMF A 507 |
Chain | Residue |
A | TYR301 |
A | ARG352 |
A | GLU359 |
A | MET366 |
A | HOH605 |
site_id | AC8 |
Number of Residues | 4 |
Details | binding site for residue DMF A 508 |
Chain | Residue |
A | TYR35 |
A | LYS36 |
A | MET366 |
A | THR367 |
site_id | AC9 |
Number of Residues | 7 |
Details | binding site for residue GOL A 509 |
Chain | Residue |
A | HIS189 |
A | GLU194 |
A | THR219 |
A | GLY220 |
A | THR221 |
A | PHE233 |
A | LEU234 |
site_id | AD1 |
Number of Residues | 7 |
Details | binding site for residue DMF A 510 |
Chain | Residue |
A | ILE38 |
A | LEU41 |
A | SER42 |
A | ARG43 |
B | LEU90 |
B | ASP93 |
B | SER94 |
site_id | AD2 |
Number of Residues | 8 |
Details | binding site for residue DMF A 511 |
Chain | Residue |
B | GLN10 |
B | LEU14 |
B | PRO46 |
B | GLN48 |
B | GLN116 |
B | HOH619 |
B | HOH717 |
B | HOH802 |
site_id | AD3 |
Number of Residues | 4 |
Details | binding site for residue ZN B 501 |
Chain | Residue |
B | ASP186 |
B | HIS188 |
B | ASP285 |
B | GOK504 |
site_id | AD4 |
Number of Residues | 5 |
Details | binding site for residue K B 502 |
Chain | Residue |
B | PHE197 |
B | SER200 |
B | VAL203 |
B | SER243 |
B | HOH728 |
site_id | AD5 |
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 | AD6 |
Number of Residues | 15 |
Details | binding site for residue GOK B 504 |
Chain | Residue |
B | HOH810 |
A | GLN48 |
A | ASP50 |
B | ASP100 |
B | HIS141 |
B | HIS142 |
B | GLY150 |
B | PHE151 |
B | ASP186 |
B | HIS188 |
B | PHE216 |
B | ASP285 |
B | TYR341 |
B | ZN501 |
B | HOH720 |
site_id | AD7 |
Number of Residues | 9 |
Details | binding site for residue GOK B 505 |
Chain | Residue |
B | GLU131 |
B | LEU327 |
B | LYS330 |
B | VAL331 |
C | LYS324 |
C | GLU359 |
C | GLU360 |
C | GLY363 |
C | LYS364 |
site_id | AD8 |
Number of Residues | 4 |
Details | binding site for residue DMF B 506 |
Chain | Residue |
B | TYR301 |
B | ARG352 |
B | GLU359 |
B | MET366 |
site_id | AD9 |
Number of Residues | 4 |
Details | binding site for residue DMF B 507 |
Chain | Residue |
B | TYR7 |
B | MET29 |
B | ASP30 |
B | ILE38 |
site_id | AE1 |
Number of Residues | 3 |
Details | binding site for residue DMF B 508 |
Chain | Residue |
B | GLU195 |
B | TRP198 |
D | GLU371 |
site_id | AE2 |
Number of Residues | 5 |
Details | binding site for residue DMF B 509 |
Chain | Residue |
B | ALA61 |
B | VAL158 |
B | HIS162 |
B | ALA196 |
D | ASN303 |
site_id | AE3 |
Number of Residues | 6 |
Details | binding site for residue DMF B 510 |
Chain | Residue |
B | TYR35 |
B | LYS36 |
B | MET366 |
B | THR367 |
B | HOH703 |
D | THR85 |
site_id | AE4 |
Number of Residues | 7 |
Details | binding site for residue GOL B 512 |
Chain | Residue |
B | HIS189 |
B | GLU194 |
B | THR219 |
B | GLY220 |
B | THR221 |
B | PHE233 |
B | LEU234 |
site_id | AE5 |
Number of Residues | 7 |
Details | binding site for residue DMF C 501 |
Chain | Residue |
A | THR85 |
C | TYR35 |
C | LYS36 |
C | LYS365 |
C | MET366 |
C | THR367 |
C | HOH678 |
site_id | AE6 |
Number of Residues | 4 |
Details | binding site for residue ZN C 502 |
Chain | Residue |
C | ASP186 |
C | HIS188 |
C | ASP285 |
C | GOK505 |
site_id | AE7 |
Number of Residues | 5 |
Details | binding site for residue K C 503 |
Chain | Residue |
C | PHE197 |
C | SER200 |
C | VAL203 |
C | SER243 |
C | HOH742 |
site_id | AE8 |
Number of Residues | 5 |
Details | binding site for residue K C 504 |
Chain | Residue |
C | ASP184 |
C | ASP186 |
C | HIS188 |
C | SER207 |
C | VAL208 |
site_id | AE9 |
Number of Residues | 15 |
Details | binding site for residue GOK C 505 |
Chain | Residue |
C | ASP100 |
C | HIS141 |
C | HIS142 |
C | GLY150 |
C | PHE151 |
C | ASP186 |
C | HIS188 |
C | PHE216 |
C | ASP285 |
C | TYR341 |
C | ZN502 |
C | HOH751 |
C | HOH783 |
D | GLN48 |
D | ASP50 |
site_id | AF1 |
Number of Residues | 12 |
Details | binding site for residue GOK C 506 |
Chain | Residue |
C | GLU194 |
C | GLU195 |
C | TRP198 |
C | THR219 |
C | ASN223 |
C | MET224 |
C | HOH605 |
D | ASP9 |
D | GLN10 |
D | GLN13 |
D | ASP109 |
D | HOH720 |
site_id | AF2 |
Number of Residues | 2 |
Details | binding site for residue DMF C 507 |
Chain | Residue |
C | ARG12 |
C | TYR377 |
site_id | AF3 |
Number of Residues | 5 |
Details | binding site for residue DMF C 508 |
Chain | Residue |
C | TYR7 |
C | ARG43 |
D | ASP93 |
D | SER94 |
D | SER96 |
site_id | AF4 |
Number of Residues | 2 |
Details | binding site for residue DMF C 509 |
Chain | Residue |
C | SER376 |
C | TYR377 |
site_id | AF5 |
Number of Residues | 5 |
Details | binding site for residue DMF C 510 |
Chain | Residue |
C | TYR301 |
C | ARG352 |
C | GLU359 |
C | MET366 |
C | ILE368 |
site_id | AF6 |
Number of Residues | 4 |
Details | binding site for residue DMF C 511 |
Chain | Residue |
B | PRO383 |
C | ARG409 |
C | SER442 |
C | LEU443 |
site_id | AF7 |
Number of Residues | 9 |
Details | binding site for residue DMF C 512 |
Chain | Residue |
C | SER18 |
C | PRO19 |
C | LYS20 |
C | PHE21 |
C | ASP100 |
C | PHE104 |
C | TYR110 |
C | PHE151 |
C | TYR153 |
site_id | AF8 |
Number of Residues | 5 |
Details | binding site for residue DMF C 513 |
Chain | Residue |
C | TYR7 |
C | ARG12 |
C | ASP30 |
C | ASN33 |
C | ILE38 |
site_id | AF9 |
Number of Residues | 8 |
Details | binding site for residue DMF C 514 |
Chain | Residue |
C | LEU90 |
C | ASP93 |
C | SER94 |
D | TYR7 |
D | PRO39 |
D | LEU41 |
D | ARG43 |
D | HOH611 |
site_id | AG1 |
Number of Residues | 5 |
Details | binding site for residue GOL C 515 |
Chain | Residue |
C | GLN48 |
C | GLN116 |
C | HOH601 |
C | HOH633 |
C | HOH706 |
site_id | AG2 |
Number of Residues | 6 |
Details | binding site for residue GOL C 516 |
Chain | Residue |
C | ASN270 |
C | GLN274 |
C | PRO275 |
C | TRP329 |
C | VAL331 |
C | HOH604 |
site_id | AG3 |
Number of Residues | 10 |
Details | binding site for residue GOL C 517 |
Chain | Residue |
C | HIS189 |
C | GLU194 |
C | THR219 |
C | GLY220 |
C | THR221 |
C | ASN223 |
C | ILE232 |
C | PHE233 |
C | LEU234 |
C | ASN246 |
site_id | AG4 |
Number of Residues | 4 |
Details | binding site for residue ZN D 501 |
Chain | Residue |
D | ASP186 |
D | HIS188 |
D | ASP285 |
D | GOK504 |
site_id | AG5 |
Number of Residues | 5 |
Details | binding site for residue K D 502 |
Chain | Residue |
D | PHE197 |
D | SER200 |
D | VAL203 |
D | SER243 |
D | HOH736 |
site_id | AG6 |
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 | AG7 |
Number of Residues | 17 |
Details | binding site for residue GOK D 504 |
Chain | Residue |
C | LEU47 |
C | GLN48 |
C | ASP50 |
D | ASP100 |
D | HIS141 |
D | HIS142 |
D | GLY150 |
D | PHE151 |
D | ASP186 |
D | HIS188 |
D | PHE216 |
D | ASP285 |
D | TYR341 |
D | ZN501 |
D | HOH669 |
D | HOH739 |
D | HOH751 |
site_id | AG8 |
Number of Residues | 8 |
Details | binding site for residue DMF D 505 |
Chain | Residue |
D | SER18 |
D | PRO19 |
D | LYS20 |
D | PHE21 |
D | PHE104 |
D | TYR110 |
D | PHE151 |
D | TYR153 |
site_id | AG9 |
Number of Residues | 3 |
Details | binding site for residue DMF D 506 |
Chain | Residue |
D | LYS20 |
D | PHE151 |
D | HIS292 |
site_id | AH1 |
Number of Residues | 4 |
Details | binding site for residue DMF D 507 |
Chain | Residue |
D | TYR301 |
D | ARG352 |
D | GLU359 |
D | MET366 |
site_id | AH2 |
Number of Residues | 4 |
Details | binding site for residue DMF D 508 |
Chain | Residue |
A | GLU374 |
A | HIS375 |
A | PHE378 |
D | TYR377 |
site_id | AH3 |
Number of Residues | 4 |
Details | binding site for residue DMF D 509 |
Chain | Residue |
D | TYR7 |
D | MET29 |
D | ASP30 |
D | ASN33 |
site_id | AH4 |
Number of Residues | 4 |
Details | binding site for residue DMF D 510 |
Chain | Residue |
D | ALA61 |
D | PHE62 |
D | HIS162 |
D | ALA196 |
site_id | AH5 |
Number of Residues | 9 |
Details | binding site for residue GOL D 511 |
Chain | Residue |
D | HIS189 |
D | GLU194 |
D | THR219 |
D | GLY220 |
D | THR221 |
D | ASN223 |
D | PHE233 |
D | LEU234 |
D | ASN246 |
site_id | AH6 |
Number of Residues | 7 |
Details | binding site for residue GOL D 512 |
Chain | Residue |
D | GLN10 |
D | PRO46 |
D | GLN48 |
D | GLN116 |
D | HOH610 |
D | HOH643 |
D | HOH694 |
site_id | AH7 |
Number of Residues | 5 |
Details | binding site for residues DMF B 511 and GOL B 513 |
Chain | Residue |
B | ARG12 |
B | GLN13 |
B | CYS16 |
B | SER376 |
B | TYR377 |