ID 6GXWA STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GXW DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.070 CC R-Factor 0.192 FT #SUB 11 10 GLN A 218 217 PRO B Protein S 1 FT #SUB 11 10 GLN A 219 218 GLY B Protein S 8 FT #SUB 11 10 GLN A 220 219 THR B Protein S 2 FT #SUB 40 39 PRO A 91 90 LEU B Protein B 1 FT #SUB 41 40 GLU A 91 90 LEU B Protein B 1 FT #SUB 42 41 LEU A 91 90 LEU B Protein B 2 FT #SUB 43 42 SER A 91 90 LEU B Protein B 1 FT #SUB 43 42 SER A 94 93 ASP B Protein S 4 FT #SUB 44 43 ARG A 97 96 SER B Protein S 1 FT #SUB 44 43 ARG A 148 147 GLU B Protein S 2 FT #SUB 46 45 PRO A 100 99 TYR B Protein S 2 FT #SUB 49 48 GLN A 215 214 GLY B Protein A 3 FT #SUB 49 48 GLN A 216 215 PHE B Protein S 1 FT #SUB 49 48 GLN A 217 216 PHE B Protein S 4 FT #SUB 49 48 GLN A 218 217 PRO B Protein S 3 FT #SUB 49 48 GLN A 219 218 GLY B Protein S 1 FT #SUB 50 49 TRP A 215 214 GLY B Protein A 4 FT #SUB 50 49 TRP A 216 215 PHE B Protein B 2 FT #SUB 50 49 TRP A 217 216 PHE B Protein B 1 FT #SUB 51 50 ASP A 216 215 PHE B Protein B 3 FT #SUB 51 50 ASP A 293 292 HIS B Protein A 6 FT #SUB 51 50 ASP A 295 294 ILE B Protein B 1 FT #SUB 52 51 SER A 216 215 PHE B Protein B 2 FT #SUB 52 51 SER A 295 294 ILE B Protein B 1 FT #SUB 53 52 PRO A 211 210 HIS B Protein S 2 FT #SUB 53 52 PRO A 213 212 SER B Protein S 2 FT #SUB 53 52 PRO A 252 251 GLU B Protein S 5 FT #SUB 56 55 MET A 214 213 PRO B Protein S 2 FT #SUB 73 72 LYS A 214 213 PRO B Protein S 4 FT #SUB 80 79 CYS A 231 230 LEU B Protein B 2 FT #SUB 80 79 CYS A 232 231 PRO B Protein A 3 FT #SUB 106 105 PRO A 225 224 MET B Protein A 2 FT #SUB 109 108 PHE A 214 213 PRO B Protein S 4 FT #SUB 110 109 ASP A 214 213 PRO B Protein S 3 FT #SUB 113 112 LEU A 214 213 PRO B Protein S 3 FT #SUB 113 112 LEU A 215 214 GLY B Protein S 2 FT #SUB 117 116 GLN A 215 214 GLY B Protein S 1 FT #SUB 125 124 ALA A 100 99 TYR B Protein S 1 FT #SUB 130 129 HIS A 90 89 GLU B Protein S 1 FT #SUB 130 129 HIS A 94 93 ASP B Protein S 5 FT #SUB 130 129 HIS A 100 99 TYR B Protein S 4 FT #SUB 363 362 LYS A 91 90 LEU B Protein S 1 FT #SUB 200 199 TYR A 394 393 PRO C Protein S 3 FT #SUB 200 199 TYR A 395 394 HIS C Protein S 5 FT #SUB 202 201 PRO A 393 392 PHE C Protein S 3 FT #SUB 203 202 ARG A 393 392 PHE C Protein S 3 FT #SUB 240 239 ARG A 390 389 ILE C Protein S 1 FT #SUB 240 239 ARG A 392 391 TYR C Protein S 5 FT #SUB 240 239 ARG A 393 392 PHE C Protein S 5 FT #HET 16 15 CYS A 6 506 DMF A A 7 FT #HET 21 20 LYS A 4 504 FGN A S 4 FT #HET 22 21 PHE A 6 506 DMF A S 3 FT #HET 25 24 ARG A 6 506 DMF A S 3 FT #HET 51 50 ASP A 11 504 FGN B S 3 FT #HET 111 110 TYR A 6 506 DMF A S 3 FT #HET 132 131 GLU A 5 505 DMF A A 2 FT #HET 133 132 VAL A 5 505 DMF A S 1 FT #HET 138 137 GLY A 6 506 DMF A B 6 FT #HET 141 140 TRP A 6 506 DMF A S 4 FT #HET 142 141 HIS A 4 504 FGN A S 4 FT #HET 143 142 HIS A 4 504 FGN A S 6 FT #HET 185 184 ASP A 2 502 K A A 5 FT #HET 186 185 LEU A 2 502 K A B 1 FT #HET 187 186 ASP A 1 501 ZN A S 3 FT #HET 187 186 ASP A 2 502 K A A 5 FT #HET 187 186 ASP A 4 504 FGN A S 3 FT #HET 189 188 HIS A 1 501 ZN A A 5 FT #HET 189 188 HIS A 2 502 K A B 2 FT #HET 189 188 HIS A 4 504 FGN A S 8 FT #HET 190 189 HIS A 7 507 GOL A S 1 FT #HET 195 194 GLU A 7 507 GOL A S 3 FT #HET 198 197 PHE A 3 503 K A A 3 FT #HET 201 200 SER A 3 503 K A B 1 FT #HET 203 202 ARG A 12 801 DMF C S 1 FT #HET 204 203 VAL A 3 503 K A B 2 FT #HET 208 207 SER A 2 502 K A S 2 FT #HET 209 208 VAL A 2 502 K A B 2 FT #HET 210 209 HIS A 2 502 K A S 1 FT #HET 217 216 PHE A 4 504 FGN A S 6 FT #HET 220 219 THR A 7 507 GOL A A 8 FT #HET 221 220 GLY A 7 507 GOL A B 6 FT #HET 222 221 THR A 7 507 GOL A B 4 FT #HET 224 223 ASN A 7 507 GOL A S 2 FT #HET 234 233 PHE A 7 507 GOL A B 2 FT #HET 235 234 LEU A 7 507 GOL A A 8 FT #HET 240 239 ARG A 12 801 DMF C S 6 FT #HET 244 243 SER A 3 503 K A A 4 FT #HET 286 285 ASP A 1 501 ZN A S 3 FT #HET 286 285 ASP A 4 504 FGN A S 1 FT #HET 293 292 HIS A 4 504 FGN A A 9 FT #HET 331 330 LYS A 5 505 DMF A A 12 FT #HET 332 331 VAL A 5 505 DMF A B 4 FT #HET 342 341 TYR A 4 504 FGN A S 7 FT #HET 362 361 VAL A 5 505 DMF A A 4 FT DISORDER 1 2 FT DISORDER 169 177 FT DISORDER 225 231 FT DISORDER 304 316 FT DISORDER 395 402 FT DISORDER 437 447 CC SEQUENCE 397 AA (ATOM); CC SVGIVYGDQY RQLCCSSPKF GDRYALVMDL INAYKLIPEL SRVPPLQWDS PSRMYEAVTA CC FHSTEYVDAL KKLQMLHCEE KELTADDELL MDSFSLNYDC PGFPSVFDYS LAAVQGSLAA CC ASALICRHCE VVINWGGGWH HAKRSEASGF CYLNDIVLAI HRLVSSQTRV LYVDLDLHHG CC DGVEEAFWYS PRVVTFSVHH ASPGFFPGTG TWNPIFLNGA GRGRFSAFNL PLEEGINDLD CC WSNAIGPILD SLNIVIQPSY VVVQCGADCL ATDPHRIFRL TNFYPLSGYL YAIKKILSWK CC VPTLILGGGG YNFPDTARLW TRVTALTIEE VKGKKMTISP EIPEHSYFSR YGPDFELDID CC YFPDSIQKHH RRILEQLRNY ADLNKLIYDY DQVYQLY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HMSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ATOM --SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ************************************************ CC SEQRES DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNY CC ATOM DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNY CC ************************************************** CC SEQRES DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ATOM DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ************************************************** CC SEQRES GFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWY CC ATOM GFCYLNDIVLAIHRLVSS---------QTRVLYVDLDLHHGDGVEEAFWY CC ****************** *********************** CC SEQRES SPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPL CC ATOM SPRVVTFSVHHASPGFFPGTGTWN-------PIFLNGAGRGRFSAFNLPL CC ************************ ******************* CC SEQRES EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ATOM EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ************************************************** CC SEQRES FYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC ATOM FYP-------------LSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC *** ********************************** CC SEQRES WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNK CC ATOM WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFP------ CC ******************************************** CC SEQRES TLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ATOM --DSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLY----------- CC ********************************** SQ SEQUENCE 447 AA; MW; CN; HMSVGIVYGD QYRQLCCSSP KFGDRYALVM DLINAYKLIP ELSRVPPLQW DSPSRMYEAV TAFHSTEYVD ALKKLQMLHC EEKELTADDE LLMDSFSLNY DCPGFPSVFD YSLAAVQGSL AAASALICRH CEVVINWGGG WHHAKRSEAS GFCYLNDIVL AIHRLVSSTP PETSPNRQTR VLYVDLDLHH GDGVEEAFWY SPRVVTFSVH HASPGFFPGT GTWNMVDNDK LPIFLNGAGR GRFSAFNLPL EEGINDLDWS NAIGPILDSL NIVIQPSYVV VQCGADCLAT DPHRIFRLTN FYPNLNLDSD CDSECSLSGY LYAIKKILSW KVPTLILGGG GYNFPDTARL WTRVTALTIE EVKGKKMTIS PEIPEHSYFS RYGPDFELDI DYFPHESHNK TLDSIQKHHR RILEQLRNYA DLNKLIYDYD QVYQLYNLTG MGSLVPR // ID 6GXWB STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GXW DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.070 CC R-Factor 0.192 FT #SUB 90 89 GLU B 130 129 HIS A Protein S 1 FT #SUB 91 90 LEU B 40 39 PRO A Protein S 1 FT #SUB 91 90 LEU B 41 40 GLU A Protein S 1 FT #SUB 91 90 LEU B 42 41 LEU A Protein S 2 FT #SUB 91 90 LEU B 43 42 SER A Protein S 1 FT #SUB 91 90 LEU B 363 362 LYS A Protein S 1 FT #SUB 94 93 ASP B 43 42 SER A Protein S 4 FT #SUB 94 93 ASP B 130 129 HIS A Protein S 5 FT #SUB 97 96 SER B 44 43 ARG A Protein S 1 FT #SUB 100 99 TYR B 46 45 PRO A Protein S 2 FT #SUB 100 99 TYR B 125 124 ALA A Protein S 1 FT #SUB 100 99 TYR B 130 129 HIS A Protein S 4 FT #SUB 148 147 GLU B 44 43 ARG A Protein S 2 FT #SUB 211 210 HIS B 53 52 PRO A Protein S 2 FT #SUB 213 212 SER B 53 52 PRO A Protein S 2 FT #SUB 214 213 PRO B 56 55 MET A Protein B 2 FT #SUB 214 213 PRO B 73 72 LYS A Protein S 4 FT #SUB 214 213 PRO B 109 108 PHE A Protein S 4 FT #SUB 214 213 PRO B 110 109 ASP A Protein A 3 FT #SUB 214 213 PRO B 113 112 LEU A Protein A 3 FT #SUB 215 214 GLY B 49 48 GLN A Protein B 3 FT #SUB 215 214 GLY B 50 49 TRP A Protein B 4 FT #SUB 215 214 GLY B 113 112 LEU A Protein B 2 FT #SUB 215 214 GLY B 117 116 GLN A Protein B 1 FT #SUB 216 215 PHE B 49 48 GLN A Protein B 1 FT #SUB 216 215 PHE B 50 49 TRP A Protein A 2 FT #SUB 216 215 PHE B 51 50 ASP A Protein S 3 FT #SUB 216 215 PHE B 52 51 SER A Protein S 2 FT #SUB 217 216 PHE B 49 48 GLN A Protein A 4 FT #SUB 217 216 PHE B 50 49 TRP A Protein B 1 FT #SUB 218 217 PRO B 11 10 GLN A Protein B 1 FT #SUB 218 217 PRO B 49 48 GLN A Protein B 3 FT #SUB 219 218 GLY B 11 10 GLN A Protein B 8 FT #SUB 219 218 GLY B 49 48 GLN A Protein B 1 FT #SUB 220 219 THR B 11 10 GLN A Protein A 2 FT #SUB 225 224 MET B 106 105 PRO A Protein S 2 FT #SUB 231 230 LEU B 80 79 CYS A Protein S 2 FT #SUB 232 231 PRO B 80 79 CYS A Protein S 3 FT #SUB 252 251 GLU B 53 52 PRO A Protein S 5 FT #SUB 293 292 HIS B 51 50 ASP A Protein S 6 FT #SUB 295 294 ILE B 51 50 ASP A Protein S 1 FT #SUB 295 294 ILE B 52 51 SER A Protein S 1 FT #SUB 301 300 PHE B 240 239 ARG D Protein S 3 FT #SUB 390 389 ILE B 240 239 ARG D Protein B 1 FT #SUB 392 391 TYR B 240 239 ARG D Protein B 5 FT #SUB 393 392 PHE B 202 201 PRO D Protein S 3 FT #SUB 393 392 PHE B 240 239 ARG D Protein S 3 FT #SUB 394 393 PRO B 200 199 TYR D Protein B 3 FT #SUB 394 393 PRO B 240 239 ARG D Protein S 2 FT #SUB 395 394 HIS B 200 199 TYR D Protein A 5 FT #SUB 396 395 GLU B 200 199 TYR D Protein A 7 FT #HET 21 20 LYS B 11 504 FGN B S 3 FT #HET 101 100 ASP B 11 504 FGN B S 4 FT #HET 142 141 HIS B 11 504 FGN B S 3 FT #HET 143 142 HIS B 11 504 FGN B S 4 FT #HET 151 150 GLY B 11 504 FGN B B 1 FT #HET 185 184 ASP B 9 502 K B A 5 FT #HET 186 185 LEU B 9 502 K B B 1 FT #HET 187 186 ASP B 8 501 ZN B S 3 FT #HET 187 186 ASP B 9 502 K B A 5 FT #HET 187 186 ASP B 11 504 FGN B S 3 FT #HET 189 188 HIS B 8 501 ZN B A 6 FT #HET 189 188 HIS B 9 502 K B B 2 FT #HET 189 188 HIS B 11 504 FGN B S 9 FT #HET 198 197 PHE B 10 503 K B A 3 FT #HET 201 200 SER B 10 503 K B B 2 FT #HET 204 203 VAL B 10 503 K B B 2 FT #HET 208 207 SER B 9 502 K B S 1 FT #HET 209 208 VAL B 9 502 K B B 2 FT #HET 210 209 HIS B 9 502 K B S 1 FT #HET 244 243 SER B 10 503 K B A 4 FT #HET 286 285 ASP B 8 501 ZN B S 3 FT #HET 286 285 ASP B 11 504 FGN B S 2 FT #HET 292 291 PRO B 11 504 FGN B S 2 FT #HET 293 292 HIS B 11 504 FGN B S 7 FT #HET 342 341 TYR B 11 504 FGN B S 17 FT DISORDER 1 2 FT DISORDER 82 84 FT DISORDER 170 177 FT DISORDER 226 230 FT DISORDER 304 315 FT DISORDER 397 402 CC SEQUENCE 411 AA (ATOM); CC SVGIVYGDQY RQLCCSSPKF GDRYALVMDL INAYKLIPEL SRVPPLQWDS PSRMYEAVTA CC FHSTEYVDAL KKLQMLHCEL TADDELLMDS FSLNYDCPGF PSVFDYSLAA VQGSLAAASA CC LICRHCEVVI NWGGGWHHAK RSEASGFCYL NDIVLAIHRL VSSTQTRVLY VDLDLHHGDG CC VEEAFWYSPR VVTFSVHHAS PGFFPGTGTW NMLPIFLNGA GRGRFSAFNL PLEEGINDLD CC WSNAIGPILD SLNIVIQPSY VVVQCGADCL ATDPHRIFRL TNFYPSLSGY LYAIKKILSW CC KVPTLILGGG GYNFPDTARL WTRVTALTIE EVKGKKMTIS PEIPEHSYFS RYGPDFELDI CC DYFPHEDSIQ KHHRRILEQL RNYADLNKLI YDYDQVYQLY NLTGMGSLVP R CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HMSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ATOM --SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ************************************************ CC SEQRES DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNY CC ATOM DSPSRMYEAVTAFHSTEYVDALKKLQMLHCE---LTADDELLMDSFSLNY CC ******************************* **************** CC SEQRES DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ATOM DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ************************************************** CC SEQRES GFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWY CC ATOM GFCYLNDIVLAIHRLVSST--------QTRVLYVDLDLHHGDGVEEAFWY CC ******************* *********************** CC SEQRES SPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPL CC ATOM SPRVVTFSVHHASPGFFPGTGTWNM-----LPIFLNGAGRGRFSAFNLPL CC ************************* ******************** CC SEQRES EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ATOM EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ************************************************** CC SEQRES FYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC ATOM FYP------------SLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC *** *********************************** CC SEQRES WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNK CC ATOM WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHE---- CC ********************************************** CC SEQRES TLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ATOM --DSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ********************************************* SQ SEQUENCE 447 AA; MW; CN; HMSVGIVYGD QYRQLCCSSP KFGDRYALVM DLINAYKLIP ELSRVPPLQW DSPSRMYEAV TAFHSTEYVD ALKKLQMLHC EEKELTADDE LLMDSFSLNY DCPGFPSVFD YSLAAVQGSL AAASALICRH CEVVINWGGG WHHAKRSEAS GFCYLNDIVL AIHRLVSSTP PETSPNRQTR VLYVDLDLHH GDGVEEAFWY SPRVVTFSVH HASPGFFPGT GTWNMVDNDK LPIFLNGAGR GRFSAFNLPL EEGINDLDWS NAIGPILDSL NIVIQPSYVV VQCGADCLAT DPHRIFRLTN FYPNLNLDSD CDSECSLSGY LYAIKKILSW KVPTLILGGG GYNFPDTARL WTRVTALTIE EVKGKKMTIS PEIPEHSYFS RYGPDFELDI DYFPHESHNK TLDSIQKHHR RILEQLRNYA DLNKLIYDYD QVYQLYNLTG MGSLVPR // ID 6GXWC STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GXW DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.070 CC R-Factor 0.192 FT #SUB 390 389 ILE C 240 239 ARG A Protein B 1 FT #SUB 392 391 TYR C 240 239 ARG A Protein B 5 FT #SUB 393 392 PHE C 202 201 PRO A Protein S 3 FT #SUB 393 392 PHE C 203 202 ARG A Protein S 3 FT #SUB 393 392 PHE C 240 239 ARG A Protein S 5 FT #SUB 394 393 PRO C 200 199 TYR A Protein B 3 FT #SUB 395 394 HIS C 200 199 TYR A Protein A 5 FT #SUB 90 89 GLU C 130 129 HIS D Protein S 2 FT #SUB 91 90 LEU C 40 39 PRO D Protein S 1 FT #SUB 91 90 LEU C 41 40 GLU D Protein S 2 FT #SUB 91 90 LEU C 42 41 LEU D Protein S 2 FT #SUB 91 90 LEU C 43 42 SER D Protein S 1 FT #SUB 91 90 LEU C 363 362 LYS D Protein S 1 FT #SUB 94 93 ASP C 43 42 SER D Protein S 4 FT #SUB 94 93 ASP C 130 129 HIS D Protein S 5 FT #SUB 97 96 SER C 44 43 ARG D Protein S 2 FT #SUB 100 99 TYR C 46 45 PRO D Protein S 3 FT #SUB 100 99 TYR C 125 124 ALA D Protein S 1 FT #SUB 100 99 TYR C 130 129 HIS D Protein S 1 FT #SUB 148 147 GLU C 44 43 ARG D Protein S 1 FT #SUB 211 210 HIS C 53 52 PRO D Protein S 2 FT #SUB 213 212 SER C 53 52 PRO D Protein S 1 FT #SUB 214 213 PRO C 56 55 MET D Protein B 2 FT #SUB 214 213 PRO C 109 108 PHE D Protein S 4 FT #SUB 214 213 PRO C 110 109 ASP D Protein S 2 FT #SUB 214 213 PRO C 113 112 LEU D Protein A 3 FT #SUB 215 214 GLY C 49 48 GLN D Protein B 3 FT #SUB 215 214 GLY C 50 49 TRP D Protein B 6 FT #SUB 215 214 GLY C 113 112 LEU D Protein B 2 FT #SUB 215 214 GLY C 117 116 GLN D Protein B 1 FT #SUB 216 215 PHE C 49 48 GLN D Protein B 1 FT #SUB 216 215 PHE C 50 49 TRP D Protein A 2 FT #SUB 216 215 PHE C 51 50 ASP D Protein S 4 FT #SUB 216 215 PHE C 52 51 SER D Protein S 2 FT #SUB 217 216 PHE C 49 48 GLN D Protein A 5 FT #SUB 217 216 PHE C 50 49 TRP D Protein B 1 FT #SUB 218 217 PRO C 11 10 GLN D Protein B 4 FT #SUB 218 217 PRO C 49 48 GLN D Protein B 6 FT #SUB 219 218 GLY C 11 10 GLN D Protein B 3 FT #SUB 219 218 GLY C 49 48 GLN D Protein B 2 FT #SUB 220 219 THR C 11 10 GLN D Protein S 2 FT #SUB 224 223 ASN C 14 13 GLN D Protein S 6 FT #SUB 225 224 MET C 14 13 GLN D Protein B 3 FT #SUB 225 224 MET C 106 105 PRO D Protein S 3 FT #SUB 231 230 LEU C 80 79 CYS D Protein S 1 FT #SUB 232 231 PRO C 80 79 CYS D Protein S 4 FT #SUB 252 251 GLU C 53 52 PRO D Protein S 3 FT #SUB 293 292 HIS C 51 50 ASP D Protein S 6 FT #SUB 295 294 ILE C 51 50 ASP D Protein S 1 FT #SUB 295 294 ILE C 52 51 SER D Protein S 2 FT #SUB 295 294 ILE C 53 52 PRO D Protein S 1 FT #HET 21 20 LYS C 16 805 FGN C S 8 FT #HET 101 100 ASP C 16 805 FGN C S 3 FT #HET 142 141 HIS C 16 805 FGN C S 4 FT #HET 143 142 HIS C 16 805 FGN C S 4 FT #HET 185 184 ASP C 14 803 K C A 5 FT #HET 186 185 LEU C 14 803 K C B 1 FT #HET 187 186 ASP C 13 802 ZN C S 3 FT #HET 187 186 ASP C 14 803 K C A 5 FT #HET 187 186 ASP C 16 805 FGN C S 3 FT #HET 189 188 HIS C 13 802 ZN C A 5 FT #HET 189 188 HIS C 14 803 K C B 2 FT #HET 189 188 HIS C 16 805 FGN C S 11 FT #HET 190 189 HIS C 17 806 GOL C S 2 FT #HET 195 194 GLU C 17 806 GOL C S 4 FT #HET 198 197 PHE C 15 804 K C A 3 FT #HET 201 200 SER C 15 804 K C B 2 FT #HET 204 203 VAL C 15 804 K C B 2 FT #HET 208 207 SER C 14 803 K C S 1 FT #HET 209 208 VAL C 14 803 K C B 3 FT #HET 210 209 HIS C 14 803 K C S 1 FT #HET 220 219 THR C 17 806 GOL C S 1 FT #HET 221 220 GLY C 17 806 GOL C B 6 FT #HET 222 221 THR C 17 806 GOL C B 7 FT #HET 224 223 ASN C 17 806 GOL C S 1 FT #HET 233 232 ILE C 17 806 GOL C B 1 FT #HET 234 233 PHE C 17 806 GOL C B 2 FT #HET 235 234 LEU C 17 806 GOL C A 10 FT #HET 244 243 SER C 15 804 K C A 4 FT #HET 247 246 ASN C 17 806 GOL C S 1 FT #HET 286 285 ASP C 13 802 ZN C S 3 FT #HET 286 285 ASP C 16 805 FGN C S 3 FT #HET 292 291 PRO C 16 805 FGN C S 3 FT #HET 293 292 HIS C 16 805 FGN C S 4 FT #HET 340 339 GLY C 16 805 FGN C B 1 FT #HET 342 341 TYR C 16 805 FGN C S 18 FT #HET 385 384 ASP C 12 801 DMF C S 1 FT #HET 387 386 GLU C 12 801 DMF C S 2 FT #HET 389 388 ASP C 12 801 DMF C A 3 FT #HET 390 389 ILE C 12 801 DMF C B 1 FT #HET 391 390 ASP C 12 801 DMF C A 8 FT #HET 393 392 PHE C 12 801 DMF C S 2 FT DISORDER 1 2 FT DISORDER 82 83 FT DISORDER 170 177 FT DISORDER 226 230 FT DISORDER 304 315 FT DISORDER 396 402 CC SEQUENCE 411 AA (ATOM); CC SVGIVYGDQY RQLCCSSPKF GDRYALVMDL INAYKLIPEL SRVPPLQWDS PSRMYEAVTA CC FHSTEYVDAL KKLQMLHCEE LTADDELLMD SFSLNYDCPG FPSVFDYSLA AVQGSLAAAS CC ALICRHCEVV INWGGGWHHA KRSEASGFCY LNDIVLAIHR LVSSTQTRVL YVDLDLHHGD CC GVEEAFWYSP RVVTFSVHHA SPGFFPGTGT WNMLPIFLNG AGRGRFSAFN LPLEEGINDL CC DWSNAIGPIL DSLNIVIQPS YVVVQCGADC LATDPHRIFR LTNFYPSLSG YLYAIKKILS CC WKVPTLILGG GGYNFPDTAR LWTRVTALTI EEVKGKKMTI SPEIPEHSYF SRYGPDFELD CC IDYFPHDSIQ KHHRRILEQL RNYADLNKLI YDYDQVYQLY NLTGMGSLVP R CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HMSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ATOM --SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ************************************************ CC SEQRES DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNY CC ATOM DSPSRMYEAVTAFHSTEYVDALKKLQMLHCE--ELTADDELLMDSFSLNY CC ******************************* ***************** CC SEQRES DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ATOM DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ************************************************** CC SEQRES GFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWY CC ATOM GFCYLNDIVLAIHRLVSST--------QTRVLYVDLDLHHGDGVEEAFWY CC ******************* *********************** CC SEQRES SPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPL CC ATOM SPRVVTFSVHHASPGFFPGTGTWNM-----LPIFLNGAGRGRFSAFNLPL CC ************************* ******************** CC SEQRES EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ATOM EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ************************************************** CC SEQRES FYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC ATOM FYP------------SLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC *** *********************************** CC SEQRES WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNK CC ATOM WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPH----- CC ********************************************* CC SEQRES TLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ATOM --DSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ********************************************* SQ SEQUENCE 447 AA; MW; CN; HMSVGIVYGD QYRQLCCSSP KFGDRYALVM DLINAYKLIP ELSRVPPLQW DSPSRMYEAV TAFHSTEYVD ALKKLQMLHC EEKELTADDE LLMDSFSLNY DCPGFPSVFD YSLAAVQGSL AAASALICRH CEVVINWGGG WHHAKRSEAS GFCYLNDIVL AIHRLVSSTP PETSPNRQTR VLYVDLDLHH GDGVEEAFWY SPRVVTFSVH HASPGFFPGT GTWNMVDNDK LPIFLNGAGR GRFSAFNLPL EEGINDLDWS NAIGPILDSL NIVIQPSYVV VQCGADCLAT DPHRIFRLTN FYPNLNLDSD CDSECSLSGY LYAIKKILSW KVPTLILGGG GYNFPDTARL WTRVTALTIE EVKGKKMTIS PEIPEHSYFS RYGPDFELDI DYFPHESHNK TLDSIQKHHR RILEQLRNYA DLNKLIYDYD QVYQLYNLTG MGSLVPR // ID 6GXWD STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GXW DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.070 CC R-Factor 0.192 FT #SUB 200 199 TYR D 394 393 PRO B Protein S 3 FT #SUB 200 199 TYR D 395 394 HIS B Protein S 5 FT #SUB 200 199 TYR D 396 395 GLU B Protein S 7 FT #SUB 202 201 PRO D 393 392 PHE B Protein S 3 FT #SUB 240 239 ARG D 301 300 PHE B Protein S 3 FT #SUB 240 239 ARG D 390 389 ILE B Protein S 1 FT #SUB 240 239 ARG D 392 391 TYR B Protein S 5 FT #SUB 240 239 ARG D 393 392 PHE B Protein S 3 FT #SUB 240 239 ARG D 394 393 PRO B Protein S 2 FT #SUB 11 10 GLN D 218 217 PRO C Protein S 4 FT #SUB 11 10 GLN D 219 218 GLY C Protein S 3 FT #SUB 11 10 GLN D 220 219 THR C Protein S 2 FT #SUB 14 13 GLN D 224 223 ASN C Protein S 6 FT #SUB 14 13 GLN D 225 224 MET C Protein S 3 FT #SUB 40 39 PRO D 91 90 LEU C Protein B 1 FT #SUB 41 40 GLU D 91 90 LEU C Protein B 2 FT #SUB 42 41 LEU D 91 90 LEU C Protein B 2 FT #SUB 43 42 SER D 91 90 LEU C Protein B 1 FT #SUB 43 42 SER D 94 93 ASP C Protein S 4 FT #SUB 44 43 ARG D 97 96 SER C Protein S 2 FT #SUB 44 43 ARG D 148 147 GLU C Protein S 1 FT #SUB 46 45 PRO D 100 99 TYR C Protein S 3 FT #SUB 49 48 GLN D 215 214 GLY C Protein A 3 FT #SUB 49 48 GLN D 216 215 PHE C Protein S 1 FT #SUB 49 48 GLN D 217 216 PHE C Protein S 5 FT #SUB 49 48 GLN D 218 217 PRO C Protein S 6 FT #SUB 49 48 GLN D 219 218 GLY C Protein S 2 FT #SUB 50 49 TRP D 215 214 GLY C Protein A 6 FT #SUB 50 49 TRP D 216 215 PHE C Protein B 2 FT #SUB 50 49 TRP D 217 216 PHE C Protein B 1 FT #SUB 51 50 ASP D 216 215 PHE C Protein B 4 FT #SUB 51 50 ASP D 293 292 HIS C Protein A 6 FT #SUB 51 50 ASP D 295 294 ILE C Protein B 1 FT #SUB 52 51 SER D 216 215 PHE C Protein B 2 FT #SUB 52 51 SER D 295 294 ILE C Protein A 2 FT #SUB 53 52 PRO D 211 210 HIS C Protein S 2 FT #SUB 53 52 PRO D 213 212 SER C Protein S 1 FT #SUB 53 52 PRO D 252 251 GLU C Protein S 3 FT #SUB 53 52 PRO D 295 294 ILE C Protein S 1 FT #SUB 56 55 MET D 214 213 PRO C Protein S 2 FT #SUB 80 79 CYS D 231 230 LEU C Protein B 1 FT #SUB 80 79 CYS D 232 231 PRO C Protein A 4 FT #SUB 106 105 PRO D 225 224 MET C Protein B 3 FT #SUB 109 108 PHE D 214 213 PRO C Protein S 4 FT #SUB 110 109 ASP D 214 213 PRO C Protein S 2 FT #SUB 113 112 LEU D 214 213 PRO C Protein S 3 FT #SUB 113 112 LEU D 215 214 GLY C Protein S 2 FT #SUB 117 116 GLN D 215 214 GLY C Protein S 1 FT #SUB 125 124 ALA D 100 99 TYR C Protein S 1 FT #SUB 130 129 HIS D 90 89 GLU C Protein S 2 FT #SUB 130 129 HIS D 94 93 ASP C Protein S 5 FT #SUB 130 129 HIS D 100 99 TYR C Protein S 1 FT #SUB 363 362 LYS D 91 90 LEU C Protein S 1 FT #HET 21 20 LYS D 21 504 FGN D S 5 FT #HET 101 100 ASP D 21 504 FGN D S 2 FT #HET 142 141 HIS D 21 504 FGN D S 4 FT #HET 143 142 HIS D 21 504 FGN D S 4 FT #HET 185 184 ASP D 19 502 K D A 5 FT #HET 186 185 LEU D 19 502 K D B 1 FT #HET 187 186 ASP D 18 501 ZN D S 3 FT #HET 187 186 ASP D 19 502 K D A 5 FT #HET 187 186 ASP D 21 504 FGN D S 3 FT #HET 189 188 HIS D 18 501 ZN D A 5 FT #HET 189 188 HIS D 19 502 K D B 2 FT #HET 189 188 HIS D 21 504 FGN D S 7 FT #HET 190 189 HIS D 22 505 GOL D S 2 FT #HET 195 194 GLU D 22 505 GOL D S 4 FT #HET 198 197 PHE D 20 503 K D A 3 FT #HET 201 200 SER D 20 503 K D B 2 FT #HET 204 203 VAL D 20 503 K D B 2 FT #HET 208 207 SER D 19 502 K D S 2 FT #HET 209 208 VAL D 19 502 K D B 2 FT #HET 210 209 HIS D 19 502 K D S 1 FT #HET 220 219 THR D 22 505 GOL D A 5 FT #HET 221 220 GLY D 22 505 GOL D B 7 FT #HET 222 221 THR D 22 505 GOL D B 7 FT #HET 224 223 ASN D 22 505 GOL D S 1 FT #HET 234 233 PHE D 22 505 GOL D B 2 FT #HET 235 234 LEU D 22 505 GOL D A 6 FT #HET 244 243 SER D 20 503 K D A 4 FT #HET 247 246 ASN D 22 505 GOL D S 1 FT #HET 286 285 ASP D 18 501 ZN D S 3 FT #HET 286 285 ASP D 21 504 FGN D S 1 FT #HET 293 292 HIS D 21 504 FGN D S 6 FT #HET 340 339 GLY D 21 504 FGN D B 1 FT #HET 342 341 TYR D 21 504 FGN D S 13 FT DISORDER 1 2 FT DISORDER 169 178 FT DISORDER 226 230 FT DISORDER 304 315 FT DISORDER 395 402 FT DISORDER 437 447 CC SEQUENCE 399 AA (ATOM); CC SVGIVYGDQY RQLCCSSPKF GDRYALVMDL INAYKLIPEL SRVPPLQWDS PSRMYEAVTA CC FHSTEYVDAL KKLQMLHCEE KELTADDELL MDSFSLNYDC PGFPSVFDYS LAAVQGSLAA CC ASALICRHCE VVINWGGGWH HAKRSEASGF CYLNDIVLAI HRLVSSTRVL YVDLDLHHGD CC GVEEAFWYSP RVVTFSVHHA SPGFFPGTGT WNMLPIFLNG AGRGRFSAFN LPLEEGINDL CC DWSNAIGPIL DSLNIVIQPS YVVVQCGADC LATDPHRIFR LTNFYPSLSG YLYAIKKILS CC WKVPTLILGG GGYNFPDTAR LWTRVTALTI EEVKGKKMTI SPEIPEHSYF SRYGPDFELD CC IDYFPDSIQK HHRRILEQLR NYADLNKLIY DYDQVYQLY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HMSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ATOM --SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQW CC ************************************************ CC SEQRES DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNY CC ATOM DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNY CC ************************************************** CC SEQRES DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ATOM DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ************************************************** CC SEQRES GFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWY CC ATOM GFCYLNDIVLAIHRLVSS----------TRVLYVDLDLHHGDGVEEAFWY CC ****************** ********************** CC SEQRES SPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPL CC ATOM SPRVVTFSVHHASPGFFPGTGTWNM-----LPIFLNGAGRGRFSAFNLPL CC ************************* ******************** CC SEQRES EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ATOM EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ************************************************** CC SEQRES FYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC ATOM FYP------------SLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC *** *********************************** CC SEQRES WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNK CC ATOM WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFP------ CC ******************************************** CC SEQRES TLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ATOM --DSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLY----------- CC ********************************** SQ SEQUENCE 447 AA; MW; CN; HMSVGIVYGD QYRQLCCSSP KFGDRYALVM DLINAYKLIP ELSRVPPLQW DSPSRMYEAV TAFHSTEYVD ALKKLQMLHC EEKELTADDE LLMDSFSLNY DCPGFPSVFD YSLAAVQGSL AAASALICRH CEVVINWGGG WHHAKRSEAS GFCYLNDIVL AIHRLVSSTP PETSPNRQTR VLYVDLDLHH GDGVEEAFWY SPRVVTFSVH HASPGFFPGT GTWNMVDNDK LPIFLNGAGR GRFSAFNLPL EEGINDLDWS NAIGPILDSL NIVIQPSYVV VQCGADCLAT DPHRIFRLTN FYPNLNLDSD CDSECSLSGY LYAIKKILSW KVPTLILGGG GYNFPDTARL WTRVTALTIE EVKGKKMTIS PEIPEHSYFS RYGPDFELDI DYFPHESHNK TLDSIQKHHR RILEQLRNYA DLNKLIYDYD QVYQLYNLTG MGSLVPR //