6HU1
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10
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 501 |
Chain | Residue |
A | ASP186 |
A | HIS188 |
A | ASP285 |
A | GT2504 |
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 | HOH704 |
site_id | AC4 |
Number of Residues | 13 |
Details | binding site for residue GT2 A 504 |
Chain | Residue |
A | LYS20 |
A | ASP100 |
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 | 8 |
Details | binding site for residue DMF A 505 |
Chain | Residue |
A | TYR7 |
A | LEU41 |
A | SER42 |
A | ARG43 |
A | HOH653 |
B | LEU90 |
B | ASP93 |
B | SER94 |
site_id | AC6 |
Number of Residues | 4 |
Details | binding site for residue DMF A 506 |
Chain | Residue |
A | SER53 |
A | ARG54 |
A | GLU57 |
A | HOH685 |
site_id | AC7 |
Number of Residues | 3 |
Details | binding site for residue DMF A 507 |
Chain | Residue |
A | ARG12 |
A | GLN13 |
A | TYR377 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue DMF A 508 |
Chain | Residue |
A | GLU131 |
A | VAL132 |
A | LYS330 |
A | VAL331 |
A | PRO332 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue DMF A 509 |
Chain | Residue |
A | GLU374 |
A | HIS375 |
A | PHE378 |
D | SER376 |
D | TYR377 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue DMF A 510 |
Chain | Residue |
A | TYR35 |
A | LYS36 |
A | LYS365 |
A | MET366 |
A | THR367 |
A | HOH673 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue DMF A 511 |
Chain | Residue |
A | ASP93 |
A | SER94 |
A | SER96 |
B | TYR7 |
B | ARG43 |
site_id | AD3 |
Number of Residues | 7 |
Details | binding site for residue GOL A 512 |
Chain | Residue |
A | HIS189 |
A | GLU194 |
A | THR219 |
A | GLY220 |
A | THR221 |
A | PHE233 |
A | LEU234 |
site_id | AD4 |
Number of Residues | 4 |
Details | binding site for residue ZN B 501 |
Chain | Residue |
B | ASP186 |
B | HIS188 |
B | ASP285 |
B | GT2504 |
site_id | AD5 |
Number of Residues | 5 |
Details | binding site for residue K B 502 |
Chain | Residue |
B | PHE197 |
B | SER200 |
B | VAL203 |
B | SER243 |
B | HOH691 |
site_id | AD6 |
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 | AD7 |
Number of Residues | 13 |
Details | binding site for residue GT2 B 504 |
Chain | Residue |
A | ASP50 |
A | HOH606 |
B | LYS20 |
B | HIS141 |
B | HIS142 |
B | ASP186 |
B | HIS188 |
B | PHE216 |
B | ASP285 |
B | HIS292 |
B | TYR341 |
B | ZN501 |
B | HOH670 |
site_id | AD8 |
Number of Residues | 8 |
Details | binding site for residue DMF B 505 |
Chain | Residue |
B | LYS365 |
B | MET366 |
B | THR367 |
B | HOH653 |
D | LYS82 |
D | THR85 |
B | TYR35 |
B | LYS36 |
site_id | AD9 |
Number of Residues | 6 |
Details | binding site for residue DMF B 506 |
Chain | Residue |
B | GLN10 |
B | PRO46 |
B | GLN116 |
B | HOH604 |
B | HOH630 |
B | HOH719 |
site_id | AE1 |
Number of Residues | 3 |
Details | binding site for residue DMF B 507 |
Chain | Residue |
B | TYR7 |
B | MET29 |
B | ASP30 |
site_id | AE2 |
Number of Residues | 6 |
Details | binding site for residue DMF B 508 |
Chain | Residue |
B | GLU131 |
B | VAL132 |
B | LYS330 |
B | VAL331 |
B | PRO332 |
B | HOH675 |
site_id | AE3 |
Number of Residues | 5 |
Details | binding site for residue DMF B 509 |
Chain | Residue |
B | TYR301 |
B | ARG352 |
B | GLU359 |
B | MET366 |
B | ILE368 |
site_id | AE4 |
Number of Residues | 5 |
Details | binding site for residue DMF B 510 |
Chain | Residue |
B | PHE62 |
B | ARG145 |
B | DMF511 |
D | THR367 |
D | ILE368 |
site_id | AE5 |
Number of Residues | 5 |
Details | binding site for residue DMF B 511 |
Chain | Residue |
B | ALA61 |
B | HIS162 |
B | ALA196 |
B | DMF510 |
D | ASN303 |
site_id | AE6 |
Number of Residues | 5 |
Details | binding site for residue DMF B 512 |
Chain | Residue |
B | THR65 |
D | TYR35 |
D | LYS36 |
D | MET366 |
D | THR367 |
site_id | AE7 |
Number of Residues | 6 |
Details | binding site for residue GOL B 513 |
Chain | Residue |
B | HIS189 |
B | GLU194 |
B | GLY220 |
B | THR221 |
B | PHE233 |
B | LEU234 |
site_id | AE8 |
Number of Residues | 4 |
Details | binding site for residue ZN C 501 |
Chain | Residue |
C | ASP186 |
C | HIS188 |
C | ASP285 |
C | GT2504 |
site_id | AE9 |
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 | AF1 |
Number of Residues | 5 |
Details | binding site for residue K C 503 |
Chain | Residue |
C | PHE197 |
C | SER200 |
C | VAL203 |
C | SER243 |
C | HOH729 |
site_id | AF2 |
Number of Residues | 12 |
Details | binding site for residue GT2 C 504 |
Chain | Residue |
C | LYS20 |
C | HIS141 |
C | HIS142 |
C | PHE151 |
C | ASP186 |
C | HIS188 |
C | PHE216 |
C | ASP285 |
C | HIS292 |
C | TYR341 |
C | ZN501 |
D | ASP50 |
site_id | AF3 |
Number of Residues | 6 |
Details | binding site for residue DMF C 505 |
Chain | Residue |
A | ARG239 |
C | ASP384 |
C | GLU386 |
C | ASP388 |
C | ASP390 |
C | PHE392 |
site_id | AF4 |
Number of Residues | 7 |
Details | binding site for residue DMF C 506 |
Chain | Residue |
C | LEU90 |
C | ASP93 |
C | SER94 |
D | TYR7 |
D | LEU41 |
D | ARG43 |
D | HOH632 |
site_id | AF5 |
Number of Residues | 7 |
Details | binding site for residue DMF C 507 |
Chain | Residue |
A | THR85 |
C | TYR35 |
C | LYS36 |
C | LYS365 |
C | MET366 |
C | THR367 |
C | HOH622 |
site_id | AF6 |
Number of Residues | 3 |
Details | binding site for residue DMF C 508 |
Chain | Residue |
C | ARG12 |
C | TYR377 |
C | HOH601 |
site_id | AF7 |
Number of Residues | 5 |
Details | binding site for residue DMF C 509 |
Chain | Residue |
C | TYR301 |
C | ARG352 |
C | LEU356 |
C | GLU359 |
C | MET366 |
site_id | AF8 |
Number of Residues | 5 |
Details | binding site for residue DMF C 510 |
Chain | Residue |
C | GLU131 |
C | LYS330 |
C | VAL331 |
C | PRO332 |
C | HOH644 |
site_id | AF9 |
Number of Residues | 7 |
Details | binding site for residue GOL C 511 |
Chain | Residue |
C | HIS189 |
C | GLU194 |
C | GLY220 |
C | THR221 |
C | PHE233 |
C | LEU234 |
C | ASN246 |
site_id | AG1 |
Number of Residues | 4 |
Details | binding site for residue GOL C 512 |
Chain | Residue |
C | PRO46 |
C | GLN48 |
C | GLN116 |
C | HOH639 |
site_id | AG2 |
Number of Residues | 8 |
Details | binding site for residue GOL C 513 |
Chain | Residue |
C | CYS15 |
C | ARG24 |
C | TYR25 |
C | TYR110 |
C | TRP136 |
C | GLY137 |
C | TRP140 |
C | HOH678 |
site_id | AG3 |
Number of Residues | 4 |
Details | binding site for residue ZN D 501 |
Chain | Residue |
D | ASP186 |
D | HIS188 |
D | ASP285 |
D | GT2504 |
site_id | AG4 |
Number of Residues | 5 |
Details | binding site for residue K D 502 |
Chain | Residue |
D | PHE197 |
D | SER200 |
D | VAL203 |
D | SER243 |
D | HOH715 |
site_id | AG5 |
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 | AG6 |
Number of Residues | 12 |
Details | binding site for residue GT2 D 504 |
Chain | Residue |
C | ASP50 |
D | LYS20 |
D | HIS141 |
D | HIS142 |
D | PHE151 |
D | ASP186 |
D | HIS188 |
D | PHE216 |
D | ASP285 |
D | HIS292 |
D | TYR341 |
D | ZN501 |
site_id | AG7 |
Number of Residues | 3 |
Details | binding site for residue DMF D 505 |
Chain | Residue |
C | ARG43 |
D | ASP93 |
D | SER94 |
site_id | AG8 |
Number of Residues | 5 |
Details | binding site for residue DMF D 506 |
Chain | Residue |
D | ARG12 |
D | MET29 |
D | ASP30 |
D | ASN33 |
D | HOH605 |
site_id | AG9 |
Number of Residues | 8 |
Details | binding site for residue DMF D 507 |
Chain | Residue |
D | CYS15 |
D | PHE21 |
D | ARG24 |
D | TYR25 |
D | TYR110 |
D | GLY137 |
D | TRP140 |
D | HOH684 |
site_id | AH1 |
Number of Residues | 5 |
Details | binding site for residue DMF D 508 |
Chain | Residue |
D | LYS330 |
D | VAL331 |
D | PRO332 |
D | VAL361 |
D | HOH709 |
site_id | AH2 |
Number of Residues | 1 |
Details | binding site for residue DMF D 509 |
Chain | Residue |
D | TRP198 |
site_id | AH3 |
Number of Residues | 4 |
Details | binding site for residue DMF D 510 |
Chain | Residue |
A | GLU374 |
D | ARG12 |
D | GLN13 |
D | TYR377 |
site_id | AH4 |
Number of Residues | 6 |
Details | binding site for residue DMF D 511 |
Chain | Residue |
D | HIS78 |
D | LEU84 |
D | LEU97 |
D | PRO102 |
D | GLY103 |
D | HOH609 |
site_id | AH5 |
Number of Residues | 5 |
Details | binding site for residue DMF D 512 |
Chain | Residue |
D | TYR301 |
D | ARG352 |
D | LEU356 |
D | GLU359 |
D | MET366 |
site_id | AH6 |
Number of Residues | 7 |
Details | binding site for residue GOL D 513 |
Chain | Residue |
D | HIS189 |
D | GLU194 |
D | THR219 |
D | GLY220 |
D | THR221 |
D | PHE233 |
D | LEU234 |
site_id | AH7 |
Number of Residues | 4 |
Details | binding site for residue GOL D 514 |
Chain | Residue |
D | GLN10 |
D | PRO46 |
D | GLN116 |
D | HOH669 |