6HSG
Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149
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 | GM5504 |
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 | HOH708 |
site_id | AC4 |
Number of Residues | 11 |
Details | binding site for residue GM5 A 504 |
Chain | Residue |
A | LYS20 |
A | HIS141 |
A | HIS142 |
A | PHE151 |
A | ASP186 |
A | HIS188 |
A | PHE216 |
A | ASP285 |
A | MET292 |
A | TYR341 |
A | ZN501 |
site_id | AC5 |
Number of Residues | 4 |
Details | binding site for residue DMF A 505 |
Chain | Residue |
A | LEU47 |
A | GLN48 |
A | ARG163 |
A | HOH727 |
site_id | AC6 |
Number of Residues | 4 |
Details | binding site for residue DMF A 506 |
Chain | Residue |
A | GLN10 |
A | TYR11 |
A | LEU14 |
A | GLN116 |
site_id | AC7 |
Number of Residues | 3 |
Details | binding site for residue DMF A 507 |
Chain | Residue |
A | TYR301 |
A | ARG352 |
A | GLU359 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue DMF A 508 |
Chain | Residue |
A | ASP93 |
A | SER94 |
A | SER96 |
B | TYR7 |
B | ARG43 |
site_id | AC9 |
Number of Residues | 7 |
Details | binding site for residue DMF A 509 |
Chain | Residue |
A | LEU256 |
A | SER259 |
A | ASN260 |
A | TYR321 |
A | HOH620 |
A | HOH696 |
A | HOH775 |
site_id | AD1 |
Number of Residues | 4 |
Details | binding site for residue GOL A 510 |
Chain | Residue |
A | SER276 |
A | PRO332 |
A | HOH602 |
A | HOH690 |
site_id | AD2 |
Number of Residues | 4 |
Details | binding site for residue ZN B 501 |
Chain | Residue |
B | ASP186 |
B | HIS188 |
B | ASP285 |
B | GM5504 |
site_id | AD3 |
Number of Residues | 5 |
Details | binding site for residue K B 502 |
Chain | Residue |
B | PHE197 |
B | SER200 |
B | VAL203 |
B | SER243 |
B | HOH732 |
site_id | AD4 |
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 | AD5 |
Number of Residues | 12 |
Details | binding site for residue GM5 B 504 |
Chain | Residue |
A | HOH629 |
B | LYS20 |
B | HIS141 |
B | HIS142 |
B | PHE151 |
B | ASP186 |
B | HIS188 |
B | ASP285 |
B | MET292 |
B | GLY339 |
B | TYR341 |
B | ZN501 |
site_id | AD6 |
Number of Residues | 5 |
Details | binding site for residue DMF B 505 |
Chain | Residue |
B | TYR301 |
B | ARG352 |
B | LEU356 |
B | GLU359 |
B | MET366 |
site_id | AD7 |
Number of Residues | 6 |
Details | binding site for residue DMF B 506 |
Chain | Residue |
B | TYR35 |
B | LYS36 |
B | LYS365 |
B | MET366 |
B | THR367 |
D | THR85 |
site_id | AD8 |
Number of Residues | 3 |
Details | binding site for residue GOL B 507 |
Chain | Residue |
B | TYR7 |
B | ARG12 |
B | ASP30 |
site_id | AD9 |
Number of Residues | 6 |
Details | binding site for residue GOL B 508 |
Chain | Residue |
B | HIS189 |
B | GLU194 |
B | GLY220 |
B | THR221 |
B | PHE233 |
B | LEU234 |
site_id | AE1 |
Number of Residues | 5 |
Details | binding site for residue GOL B 509 |
Chain | Residue |
B | PHE62 |
B | ARG145 |
D | THR367 |
D | ILE368 |
B | ALA61 |
site_id | AE2 |
Number of Residues | 4 |
Details | binding site for residue ZN C 501 |
Chain | Residue |
C | ASP186 |
C | HIS188 |
C | ASP285 |
C | GM5504 |
site_id | AE3 |
Number of Residues | 5 |
Details | binding site for residue K C 502 |
Chain | Residue |
C | PHE197 |
C | SER200 |
C | VAL203 |
C | SER243 |
C | HOH736 |
site_id | AE4 |
Number of Residues | 5 |
Details | binding site for residue K C 503 |
Chain | Residue |
C | ASP184 |
C | ASP186 |
C | HIS188 |
C | SER207 |
C | VAL208 |
site_id | AE5 |
Number of Residues | 13 |
Details | binding site for residue GM5 C 504 |
Chain | Residue |
C | LYS20 |
C | HIS141 |
C | HIS142 |
C | PHE151 |
C | ASP186 |
C | HIS188 |
C | PHE216 |
C | ASP285 |
C | MET292 |
C | GLY339 |
C | TYR341 |
C | ZN501 |
C | HOH663 |
site_id | AE6 |
Number of Residues | 6 |
Details | binding site for residue DMF C 505 |
Chain | Residue |
C | GLU131 |
C | VAL132 |
C | LEU327 |
C | LYS330 |
C | VAL331 |
C | VAL361 |
site_id | AE7 |
Number of Residues | 7 |
Details | binding site for residue DMF C 506 |
Chain | Residue |
C | TYR301 |
C | ARG352 |
C | ALA355 |
C | LEU356 |
C | GLU359 |
C | MET366 |
C | ILE368 |
site_id | AE8 |
Number of Residues | 6 |
Details | binding site for residue DMF C 507 |
Chain | Residue |
C | TYR35 |
C | LYS36 |
C | MET366 |
C | THR367 |
C | HOH633 |
C | HOH763 |
site_id | AE9 |
Number of Residues | 4 |
Details | binding site for residue DMF C 508 |
Chain | Residue |
B | ASP402 |
C | ASN33 |
C | ALA34 |
C | GOL512 |
site_id | AF1 |
Number of Residues | 5 |
Details | binding site for residue DMF C 509 |
Chain | Residue |
A | THR367 |
C | THR60 |
C | ALA61 |
C | PHE62 |
C | ARG145 |
site_id | AF2 |
Number of Residues | 4 |
Details | binding site for residue DMF C 510 |
Chain | Residue |
C | TYR7 |
C | ARG12 |
C | ASP30 |
C | ASN33 |
site_id | AF3 |
Number of Residues | 8 |
Details | binding site for residue GOL C 511 |
Chain | Residue |
C | HIS189 |
C | GLU194 |
C | THR219 |
C | GLY220 |
C | THR221 |
C | PHE233 |
C | LEU234 |
C | ASN246 |
site_id | AF4 |
Number of Residues | 7 |
Details | binding site for residue GOL C 512 |
Chain | Residue |
C | ASP30 |
C | ASN33 |
C | ALA34 |
C | HIS375 |
C | SER376 |
C | DMF508 |
C | HOH604 |
site_id | AF5 |
Number of Residues | 4 |
Details | binding site for residue ZN D 501 |
Chain | Residue |
D | ASP186 |
D | HIS188 |
D | ASP285 |
D | GM5504 |
site_id | AF6 |
Number of Residues | 5 |
Details | binding site for residue K D 502 |
Chain | Residue |
D | PHE197 |
D | SER200 |
D | VAL203 |
D | SER243 |
D | HOH716 |
site_id | AF7 |
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 | AF8 |
Number of Residues | 16 |
Details | binding site for residue GM5 D 504 |
Chain | Residue |
D | LYS20 |
D | HIS141 |
D | HIS142 |
D | PHE151 |
D | ASP186 |
D | HIS188 |
D | PHE216 |
D | ASP285 |
D | MET292 |
D | GLY339 |
D | TYR341 |
D | ZN501 |
D | DMF508 |
D | HOH617 |
D | HOH724 |
D | HOH795 |
site_id | AF9 |
Number of Residues | 4 |
Details | binding site for residue DMF D 505 |
Chain | Residue |
D | TYR7 |
D | ARG12 |
D | MET29 |
D | ASP30 |
site_id | AG1 |
Number of Residues | 4 |
Details | binding site for residue DMF D 506 |
Chain | Residue |
D | GLU195 |
D | TRP198 |
D | HOH640 |
D | HOH779 |
site_id | AG2 |
Number of Residues | 5 |
Details | binding site for residue DMF D 507 |
Chain | Residue |
C | SER51 |
C | SER53 |
D | GLU251 |
D | ARG293 |
D | HOH621 |
site_id | AG3 |
Number of Residues | 6 |
Details | binding site for residue DMF D 508 |
Chain | Residue |
C | GLN48 |
C | HOH659 |
C | HOH756 |
D | ASP100 |
D | GM5504 |
D | HOH617 |
site_id | AG4 |
Number of Residues | 8 |
Details | binding site for residue GOL D 509 |
Chain | Residue |
D | HIS189 |
D | GLU194 |
D | THR219 |
D | GLY220 |
D | THR221 |
D | PHE233 |
D | LEU234 |
D | ASN246 |