ID 6GX3A STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GX3 DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.192 FT #SUB 11 10 GLN A 218 217 PRO B Protein S 3 FT #SUB 11 10 GLN A 220 219 THR B Protein S 2 FT #SUB 14 13 GLN A 224 223 ASN B Protein S 5 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 1 FT #SUB 43 42 SER A 91 90 LEU B Protein B 1 FT #SUB 43 42 SER A 94 93 ASP B Protein A 5 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 1 FT #SUB 45 44 VAL A 100 99 TYR B Protein S 1 FT #SUB 46 45 PRO A 100 99 TYR B Protein S 3 FT #SUB 49 48 GLN A 215 214 GLY B Protein A 4 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 3 FT #SUB 49 48 GLN A 218 217 PRO B Protein S 4 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 6 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 4 FT #SUB 51 50 ASP A 293 292 HIS B Protein B 1 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 A 2 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 1 FT #SUB 53 52 PRO A 252 251 GLU B Protein S 3 FT #SUB 56 55 MET A 214 213 PRO B Protein S 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 94 93 ASP B Protein S 7 FT #SUB 130 129 HIS A 100 99 TYR B Protein S 3 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 7 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 301 300 PHE C Protein S 2 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 3 FT #HET 51 50 ASP A 11 504 FF2 B S 4 FT #HET 101 100 ASP A 4 504 FF2 A S 3 FT #HET 111 110 TYR A 6 506 GOL A S 6 FT #HET 112 111 SER A 6 506 GOL A A 7 FT #HET 115 114 ALA A 6 506 GOL A S 2 FT #HET 132 131 GLU A 5 505 FF2 A A 11 FT #HET 133 132 VAL A 5 505 FF2 A S 1 FT #HET 141 140 TRP A 6 506 GOL A S 18 FT #HET 142 141 HIS A 4 504 FF2 A S 4 FT #HET 143 142 HIS A 4 504 FF2 A S 8 FT #HET 151 150 GLY A 4 504 FF2 A B 3 FT #HET 152 151 PHE A 6 506 GOL A A 4 FT #HET 153 152 CYS A 6 506 GOL A B 2 FT #HET 154 153 TYR A 6 506 GOL A A 7 FT #HET 155 154 LEU A 6 506 GOL A A 9 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 FF2 A S 4 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 FF2 A S 17 FT #HET 190 189 HIS A 7 507 GOL A S 2 FT #HET 195 194 GLU A 7 507 GOL A S 6 FT #HET 198 197 PHE A 3 503 K A A 3 FT #HET 201 200 SER A 3 503 K A B 2 FT #HET 204 203 VAL A 3 503 K A B 2 FT #HET 208 207 SER A 2 502 K A S 1 FT #HET 209 208 VAL A 2 502 K A B 3 FT #HET 210 209 HIS A 2 502 K A S 1 FT #HET 217 216 PHE A 4 504 FF2 A S 6 FT #HET 220 219 THR A 7 507 GOL A S 2 FT #HET 221 220 GLY A 7 507 GOL A B 6 FT #HET 222 221 THR A 7 507 GOL A B 5 FT #HET 224 223 ASN A 7 507 GOL A S 5 FT #HET 233 232 ILE A 7 507 GOL A B 1 FT #HET 234 233 PHE A 7 507 GOL A A 3 FT #HET 235 234 LEU A 7 507 GOL A A 8 FT #HET 244 243 SER A 3 503 K A A 4 FT #HET 247 246 ASN A 7 507 GOL A S 1 FT #HET 286 285 ASP A 1 501 ZN A S 3 FT #HET 286 285 ASP A 4 504 FF2 A S 2 FT #HET 293 292 HIS A 4 504 FF2 A S 2 FT #HET 328 327 LEU A 5 505 FF2 A B 2 FT #HET 331 330 LYS A 5 505 FF2 A A 14 FT #HET 332 331 VAL A 5 505 FF2 A B 5 FT #HET 333 332 PRO A 5 505 FF2 A A 3 FT #HET 340 339 GLY A 4 504 FF2 A B 1 FT #HET 342 341 TYR A 4 504 FF2 A S 7 FT #HET 361 360 GLU A 5 505 FF2 A B 1 FT #HET 362 361 VAL A 5 505 FF2 A A 4 FT DISORDER 1 2 FT DISORDER 83 83 FT DISORDER 169 177 FT DISORDER 225 230 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 ELTADDELLM DSFSLNYDCP GFPSVFDYSL AAVQGSLAAA CC SALICRHCEV VINWGGGWHH AKRSEASGFC YLNDIVLAIH RLVSSQTRVL YVDLDLHHGD CC GVEEAFWYSP RVVTFSVHHA SPGFFPGTGT WNLPIFLNGA 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 DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEE-ELTADDELLMDSFSLNY CC ******************************** ***************** CC SEQRES DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ATOM DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ************************************************** CC SEQRES GFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWY CC ATOM GFCYLNDIVLAIHRLVSS---------QTRVLYVDLDLHHGDGVEEAFWY CC ****************** *********************** CC SEQRES SPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPL CC ATOM SPRVVTFSVHHASPGFFPGTGTWN------LPIFLNGAGRGRFSAFNLPL 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 6GX3B STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GX3 DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.192 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 1 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 5 FT #SUB 94 93 ASP B 130 129 HIS A Protein S 7 FT #SUB 97 96 SER B 44 43 ARG A Protein S 1 FT #SUB 100 99 TYR B 45 44 VAL A Protein S 1 FT #SUB 100 99 TYR B 46 45 PRO A Protein S 3 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 3 FT #SUB 148 147 GLU B 44 43 ARG A Protein S 1 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 1 FT #SUB 214 213 PRO B 56 55 MET A Protein B 2 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 4 FT #SUB 215 214 GLY B 50 49 TRP A Protein B 6 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 4 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 3 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 3 FT #SUB 218 217 PRO B 49 48 GLN A Protein B 4 FT #SUB 219 218 GLY B 49 48 GLN A Protein B 1 FT #SUB 220 219 THR B 11 10 GLN A Protein S 2 FT #SUB 224 223 ASN B 14 13 GLN A Protein S 5 FT #SUB 252 251 GLU B 53 52 PRO A Protein S 3 FT #SUB 293 292 HIS B 51 50 ASP A Protein S 1 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 2 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 4 FT #SUB 393 392 PHE B 202 201 PRO D Protein S 3 FT #SUB 393 392 PHE B 203 202 ARG D Protein S 1 FT #SUB 393 392 PHE B 240 239 ARG D Protein S 2 FT #SUB 394 393 PRO B 200 199 TYR D Protein B 3 FT #SUB 395 394 HIS B 200 199 TYR D Protein A 8 FT #SUB 396 395 GLU B 200 199 TYR D Protein B 4 FT #HET 101 100 ASP B 11 504 FF2 B S 2 FT #HET 132 131 GLU B 12 505 FF2 B S 7 FT #HET 133 132 VAL B 12 505 FF2 B S 2 FT #HET 142 141 HIS B 11 504 FF2 B S 4 FT #HET 143 142 HIS B 11 504 FF2 B S 5 FT #HET 151 150 GLY B 11 504 FF2 B B 2 FT #HET 185 184 ASP B 10 503 K B A 5 FT #HET 186 185 LEU B 10 503 K B B 2 FT #HET 187 186 ASP B 8 501 ZN B S 3 FT #HET 187 186 ASP B 10 503 K B A 5 FT #HET 187 186 ASP B 11 504 FF2 B S 3 FT #HET 189 188 HIS B 8 501 ZN B A 5 FT #HET 189 188 HIS B 10 503 K B B 2 FT #HET 189 188 HIS B 11 504 FF2 B S 13 FT #HET 190 189 HIS B 14 507 GOL B S 2 FT #HET 195 194 GLU B 14 507 GOL B S 4 FT #HET 198 197 PHE B 9 502 K B A 3 FT #HET 199 198 TRP B 13 506 GOL B S 1 FT #HET 201 200 SER B 9 502 K B B 2 FT #HET 204 203 VAL B 9 502 K B B 2 FT #HET 208 207 SER B 10 503 K B S 1 FT #HET 209 208 VAL B 10 503 K B B 3 FT #HET 210 209 HIS B 10 503 K B S 1 FT #HET 217 216 PHE B 11 504 FF2 B S 4 FT #HET 220 219 THR B 14 507 GOL B A 4 FT #HET 221 220 GLY B 14 507 GOL B B 5 FT #HET 222 221 THR B 14 507 GOL B B 6 FT #HET 234 233 PHE B 14 507 GOL B A 3 FT #HET 235 234 LEU B 13 506 GOL B A 4 FT #HET 235 234 LEU B 14 507 GOL B A 8 FT #HET 236 235 ASN B 13 506 GOL B A 8 FT #HET 237 236 GLY B 13 506 GOL B B 6 FT #HET 242 241 ARG B 13 506 GOL B S 6 FT #HET 243 242 PHE B 13 506 GOL B S 1 FT #HET 244 243 SER B 9 502 K B A 4 FT #HET 247 246 ASN B 14 507 GOL B S 1 FT #HET 286 285 ASP B 8 501 ZN B S 3 FT #HET 286 285 ASP B 11 504 FF2 B S 2 FT #HET 293 292 HIS B 11 504 FF2 B S 2 FT #HET 302 301 TYR B 15 508 DMF B S 9 FT #HET 328 327 LEU B 12 505 FF2 B A 3 FT #HET 331 330 LYS B 12 505 FF2 B A 14 FT #HET 332 331 VAL B 12 505 FF2 B B 3 FT #HET 333 332 PRO B 12 505 FF2 B B 1 FT #HET 340 339 GLY B 11 504 FF2 B B 1 FT #HET 342 341 TYR B 11 504 FF2 B S 7 FT #HET 353 352 ARG B 15 508 DMF B A 4 FT #HET 356 355 ALA B 15 508 DMF B A 4 FT #HET 357 356 LEU B 15 508 DMF B A 3 FT #HET 360 359 GLU B 15 508 DMF B S 5 FT #HET 361 360 GLU B 12 505 FF2 B B 1 FT #HET 362 361 VAL B 12 505 FF2 B A 5 FT #HET 367 366 MET B 15 508 DMF B B 2 FT #HET 369 368 ILE B 15 508 DMF B S 1 FT DISORDER 1 2 FT DISORDER 82 84 FT DISORDER 170 177 FT DISORDER 225 232 FT DISORDER 304 315 FT DISORDER 397 402 CC SEQUENCE 408 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 NIFLNGAGRG RFSAFNLPLE EGINDLDWSN CC AIGPILDSLN IVIQPSYVVV QCGADCLATD PHRIFRLTNF YPSLSGYLYA IKKILSWKVP CC TLILGGGGYN FPDTARLWTR VTALTIEEVK GKKMTISPEI PEHSYFSRYG PDFELDIDYF CC PHEDSIQKHH RRILEQLRNY ADLNKLIYDY DQVYQLYNLT GMGSLVPR 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 SPRVVTFSVHHASPGFFPGTGTWN--------IFLNGAGRGRFSAFNLPL 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 6GX3C STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GX3 DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.192 FT #SUB 301 300 PHE C 240 239 ARG A Protein S 2 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 3 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 7 FT #SUB 90 89 GLU C 130 129 HIS D Protein S 1 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 2 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 6 FT #SUB 94 93 ASP C 130 129 HIS D Protein S 7 FT #SUB 97 96 SER C 44 43 ARG D Protein S 3 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 3 FT #SUB 148 147 GLU C 44 43 ARG D Protein S 3 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 73 72 LYS D Protein S 4 FT #SUB 214 213 PRO C 109 108 PHE D Protein S 4 FT #SUB 214 213 PRO C 110 109 ASP D Protein A 3 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 5 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 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 1 FT #SUB 217 216 PHE C 49 48 GLN D Protein A 4 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 3 FT #SUB 218 217 PRO C 49 48 GLN D Protein B 4 FT #SUB 219 218 GLY C 11 10 GLN D Protein B 2 FT #SUB 219 218 GLY C 49 48 GLN D Protein B 1 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 4 FT #SUB 252 251 GLU C 53 52 PRO D Protein S 2 FT #SUB 293 292 HIS C 51 50 ASP D Protein S 1 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 3 FT #HET 8 7 TYR C 23 508 DMF C S 14 FT #HET 9 8 GLY C 22 507 GOL C B 2 FT #HET 10 9 ASP C 22 507 GOL C B 1 FT #HET 11 10 GLN C 22 507 GOL C A 6 FT #HET 12 11 TYR C 22 507 GOL C A 10 FT #HET 13 12 ARG C 23 508 DMF C S 2 FT #HET 15 14 LEU C 22 507 GOL C S 1 FT #HET 30 29 MET C 23 508 DMF C A 2 FT #HET 31 30 ASP C 23 508 DMF C S 2 FT #HET 34 33 ASN C 23 508 DMF C S 3 FT #HET 39 38 ILE C 23 508 DMF C S 1 FT #HET 47 46 PRO C 22 507 GOL C S 3 FT #HET 101 100 ASP C 19 504 FF2 C S 4 FT #HET 117 116 GLN C 22 507 GOL C S 1 FT #HET 132 131 GLU C 20 505 FF2 C A 11 FT #HET 133 132 VAL C 20 505 FF2 C S 2 FT #HET 142 141 HIS C 19 504 FF2 C S 4 FT #HET 143 142 HIS C 19 504 FF2 C S 7 FT #HET 151 150 GLY C 19 504 FF2 C B 5 FT #HET 185 184 ASP C 18 503 K C A 5 FT #HET 186 185 LEU C 18 503 K C B 1 FT #HET 187 186 ASP C 16 501 ZN C S 3 FT #HET 187 186 ASP C 18 503 K C A 5 FT #HET 187 186 ASP C 19 504 FF2 C S 4 FT #HET 189 188 HIS C 16 501 ZN C A 5 FT #HET 189 188 HIS C 18 503 K C B 2 FT #HET 189 188 HIS C 19 504 FF2 C S 15 FT #HET 190 189 HIS C 21 506 GOL C S 3 FT #HET 195 194 GLU C 21 506 GOL C S 5 FT #HET 198 197 PHE C 17 502 K C A 3 FT #HET 201 200 SER C 17 502 K C B 2 FT #HET 204 203 VAL C 17 502 K C B 2 FT #HET 208 207 SER C 18 503 K C S 1 FT #HET 209 208 VAL C 18 503 K C B 3 FT #HET 210 209 HIS C 18 503 K C S 1 FT #HET 217 216 PHE C 19 504 FF2 C S 7 FT #HET 220 219 THR C 21 506 GOL C A 4 FT #HET 221 220 GLY C 21 506 GOL C B 6 FT #HET 222 221 THR C 21 506 GOL C B 7 FT #HET 234 233 PHE C 21 506 GOL C A 4 FT #HET 235 234 LEU C 21 506 GOL C A 6 FT #HET 244 243 SER C 17 502 K C A 3 FT #HET 247 246 ASN C 21 506 GOL C S 1 FT #HET 286 285 ASP C 16 501 ZN C S 3 FT #HET 286 285 ASP C 19 504 FF2 C S 2 FT #HET 293 292 HIS C 19 504 FF2 C S 2 FT #HET 328 327 LEU C 20 505 FF2 C A 3 FT #HET 331 330 LYS C 20 505 FF2 C A 15 FT #HET 332 331 VAL C 20 505 FF2 C B 5 FT #HET 333 332 PRO C 20 505 FF2 C B 1 FT #HET 340 339 GLY C 19 504 FF2 C B 1 FT #HET 342 341 TYR C 19 504 FF2 C S 7 FT #HET 361 360 GLU C 20 505 FF2 C B 1 FT #HET 362 361 VAL C 20 505 FF2 C A 6 FT DISORDER 1 2 FT DISORDER 82 83 FT DISORDER 170 177 FT DISORDER 225 232 FT DISORDER 304 316 FT DISORDER 396 401 CC SEQUENCE 408 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 WNIFLNGAGR GRFSAFNLPL EEGINDLDWS CC NAIGPILDSL NIVIQPSYVV VQCGADCLAT DPHRIFRLTN FYPLSGYLYA IKKILSWKVP CC TLILGGGGYN FPDTARLWTR VTALTIEEVK GKKMTISPEI PEHSYFSRYG PDFELDIDYF CC PHLDSIQKHH RRILEQLRNY ADLNKLIYDY DQVYQLYNLT GMGSLVPR 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 SPRVVTFSVHHASPGFFPGTGTWN--------IFLNGAGRGRFSAFNLPL CC ************************ ****************** CC SEQRES EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ATOM EEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTN CC ************************************************** CC SEQRES FYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC ATOM FYP-------------LSGYLYAIKKILSWKVPTLILGGGGYNFPDTARL CC *** ********************************** CC SEQRES WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNK CC ATOM WTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPH----- CC ********************************************* CC SEQRES TLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR CC ATOM -LDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGMGSLVPR 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 6GX3D STANDARD; PRT; 447 AA. DT CONVERTED FROM PDB (SEQRES) 6GX3 DE Histone deacetylase OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 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 8 FT #SUB 200 199 TYR D 396 395 GLU B Protein S 4 FT #SUB 202 201 PRO D 393 392 PHE B Protein S 3 FT #SUB 203 202 ARG D 393 392 PHE B Protein S 1 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 4 FT #SUB 240 239 ARG D 393 392 PHE B Protein S 2 FT #SUB 11 10 GLN D 218 217 PRO C Protein S 3 FT #SUB 11 10 GLN D 219 218 GLY C Protein S 2 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 4 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 2 FT #SUB 43 42 SER D 94 93 ASP C Protein A 6 FT #SUB 44 43 ARG D 97 96 SER C Protein S 3 FT #SUB 44 43 ARG D 148 147 GLU C Protein S 3 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 217 216 PHE C Protein S 4 FT #SUB 49 48 GLN D 218 217 PRO C Protein S 4 FT #SUB 49 48 GLN D 219 218 GLY C Protein S 1 FT #SUB 50 49 TRP D 215 214 GLY C Protein A 5 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 B 1 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 1 FT #SUB 52 51 SER D 295 294 ILE C Protein A 3 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 2 FT #SUB 56 55 MET D 214 213 PRO C Protein S 2 FT #SUB 73 72 LYS D 214 213 PRO C Protein S 4 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 3 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 1 FT #SUB 130 129 HIS D 94 93 ASP C Protein S 7 FT #SUB 130 129 HIS D 100 99 TYR C Protein S 3 FT #SUB 363 362 LYS D 91 90 LEU C Protein S 1 FT #HET 51 50 ASP D 19 504 FF2 C S 2 FT #HET 101 100 ASP D 27 504 FF2 D S 4 FT #HET 132 131 GLU D 28 505 FF2 D S 8 FT #HET 133 132 VAL D 28 505 FF2 D S 1 FT #HET 142 141 HIS D 27 504 FF2 D S 4 FT #HET 143 142 HIS D 27 504 FF2 D S 7 FT #HET 151 150 GLY D 27 504 FF2 D B 4 FT #HET 152 151 PHE D 27 504 FF2 D S 7 FT #HET 185 184 ASP D 26 503 K D A 5 FT #HET 186 185 LEU D 26 503 K D B 1 FT #HET 187 186 ASP D 24 501 ZN D S 3 FT #HET 187 186 ASP D 26 503 K D A 5 FT #HET 187 186 ASP D 27 504 FF2 D S 4 FT #HET 189 188 HIS D 24 501 ZN D A 5 FT #HET 189 188 HIS D 26 503 K D B 2 FT #HET 189 188 HIS D 27 504 FF2 D S 16 FT #HET 198 197 PHE D 25 502 K D A 3 FT #HET 201 200 SER D 25 502 K D B 2 FT #HET 204 203 VAL D 25 502 K D B 2 FT #HET 208 207 SER D 26 503 K D S 2 FT #HET 209 208 VAL D 26 503 K D B 3 FT #HET 210 209 HIS D 26 503 K D S 1 FT #HET 217 216 PHE D 27 504 FF2 D S 9 FT #HET 244 243 SER D 25 502 K D A 4 FT #HET 286 285 ASP D 24 501 ZN D S 3 FT #HET 286 285 ASP D 27 504 FF2 D S 2 FT #HET 293 292 HIS D 27 504 FF2 D S 2 FT #HET 328 327 LEU D 28 505 FF2 D B 2 FT #HET 331 330 LYS D 28 505 FF2 D A 12 FT #HET 332 331 VAL D 28 505 FF2 D B 10 FT #HET 333 332 PRO D 28 505 FF2 D A 4 FT #HET 340 339 GLY D 27 504 FF2 D B 1 FT #HET 342 341 TYR D 27 504 FF2 D S 6 FT #HET 362 361 VAL D 28 505 FF2 D S 1 FT DISORDER 1 2 FT DISORDER 83 83 FT DISORDER 170 177 FT DISORDER 225 230 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 ELTADDELLM DSFSLNYDCP GFPSVFDYSL AAVQGSLAAA CC SALICRHCEV VINWGGGWHH AKRSEASGFC YLNDIVLAIH RLVSSTQTRV LYVDLDLHHG CC DGVEEAFWYS PRVVTFSVHH ASPGFFPGTG TWNLPIFLNG 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 DSPSRMYEAVTAFHSTEYVDALKKLQMLHCEE-ELTADDELLMDSFSLNY CC ******************************** ***************** CC SEQRES DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ATOM DCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEAS CC ************************************************** CC SEQRES GFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWY CC ATOM GFCYLNDIVLAIHRLVSST--------QTRVLYVDLDLHHGDGVEEAFWY CC ******************* *********************** CC SEQRES SPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPL CC ATOM SPRVVTFSVHHASPGFFPGTGTWN------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 //