ID 3S3RA STANDARD; PRT; 254 AA. DT CONVERTED FROM PDB (SEQRES) 3S3R DE Cathepsin B-like peptidase (C01 family) OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.640 CC R-Factor 0.208 FT #SUB 11 80 LYS A 73 142 GLU B Protein S 6 FT #SUB 11 80 LYS A 199 268 GLY B Protein B 1 FT #SUB 12 81 LYS A 197 266 THR B Protein S 1 FT #SUB 12 81 LYS A 199 268 GLY B Protein B 4 FT #SUB 14 83 PRO A 199 268 GLY B Protein S 1 FT #SUB 14 83 PRO A 200 269 GLY B Protein S 3 FT #SUB 15 84 ARG A 177 246 THR B Protein S 1 FT #SUB 17 86 LYS A 247 316 GLU B Protein S 3 FT #SUB 70 139 LEU A 10 79 ARG C Protein S 3 FT #SUB 73 142 GLU A 11 80 LYS C Protein A 8 FT #SUB 177 246 THR A 15 84 ARG C Protein S 2 FT #SUB 197 266 THR A 12 81 LYS C Protein A 3 FT #SUB 198 267 LEU A 11 80 LYS C Protein B 1 FT #SUB 199 268 GLY A 11 80 LYS C Protein B 1 FT #SUB 199 268 GLY A 12 81 LYS C Protein B 3 FT #SUB 200 269 GLY A 14 83 PRO C Protein B 3 FT #SUB 247 316 GLU A 17 86 LYS C Protein S 4 FT #HET 10 79 ARG A 2 324 0IW B B 2 FT #HET 11 80 LYS A 2 324 0IW B B 1 FT #HET 14 83 PRO A 2 324 0IW B S 5 FT #HET 25 94 GLN A 1 324 0IW A S 6 FT #HET 28 97 CYS A 1 324 0IW A B 2 FT #HET 29 98 GLY A 1 324 0IW A B 8 FT #HET 31 100 CYS A 1 324 0IW A A 10 FT #HET 32 101 TRP A 1 324 0IW A S 3 FT #HET 69 138 GLY A 1 324 0IW A B 1 FT #HET 70 139 LEU A 1 324 0IW A S 3 FT #HET 72 141 CYS A 1 324 0IW A B 1 FT #HET 73 142 GLU A 1 324 0IW A A 7 FT #HET 74 143 GLY A 1 324 0IW A B 14 FT #HET 75 144 GLY A 1 324 0IW A B 17 FT #HET 77 146 LEU A 1 324 0IW A S 3 FT #HET 124 193 ILE A 1 324 0IW A S 1 FT #HET 175 244 GLY A 1 324 0IW A B 1 FT #HET 176 245 PHE A 1 324 0IW A B 1 FT #HET 200 269 GLY A 1 324 0IW A B 7 FT #HET 201 270 HIS A 1 324 0IW A A 13 FT #HET 223 292 TRP A 1 324 0IW A S 2 CC SEQUENCE 254 AA (ATOM); CC VEIPSSFDSR KKWPRCKSIA TIRDQSRCGS CWAFGAVEAM SDRSCIQSGG KQNVELSAVD CC LLSCCESCGL GCEGGILGPA WDYWVKEGIV TGSSKENHAG CEPYPFPKCE HHTKGKYPPC CC GSKIYKTPRC KQTCQKKYKT PYTQDKHRGK SSYNVKNDEK AIQKEIMKYG PVEAGFTVYE CC DFLNYKSGIY KHITGETLGG HAIRIIGWGV ENKAPYWLIA NSWNEDWGEN GYFRIVRGRD CC ECSIESEVTA GRIN CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES VEIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQSGG CC ATOM VEIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQSGG CC ************************************************** CC SEQRES KQNVELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG CC ATOM KQNVELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG CC ************************************************** CC SEQRES CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK CC ATOM CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK CC ************************************************** CC SEQRES SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG CC ATOM SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG CC ************************************************** CC SEQRES HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA CC ATOM HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA CC ************************************************** CC SEQRES GRIN CC ATOM GRIN CC **** SQ SEQUENCE 254 AA; MW; CN; VEIPSSFDSR KKWPRCKSIA TIRDQSRCGS CWAFGAVEAM SDRSCIQSGG KQNVELSAVD LLSCCESCGL GCEGGILGPA WDYWVKEGIV TGSSKENHAG CEPYPFPKCE HHTKGKYPPC GSKIYKTPRC KQTCQKKYKT PYTQDKHRGK SSYNVKNDEK AIQKEIMKYG PVEAGFTVYE DFLNYKSGIY KHITGETLGG HAIRIIGWGV ENKAPYWLIA NSWNEDWGEN GYFRIVRGRD ECSIESEVTA GRIN // ID 3S3RB STANDARD; PRT; 254 AA. DT CONVERTED FROM PDB (SEQRES) 3S3R DE Cathepsin B-like peptidase (C01 family) OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.640 CC R-Factor 0.208 FT #SUB 73 142 GLU B 11 80 LYS A Protein A 6 FT #SUB 177 246 THR B 15 84 ARG A Protein S 1 FT #SUB 197 266 THR B 12 81 LYS A Protein B 1 FT #SUB 199 268 GLY B 11 80 LYS A Protein B 1 FT #SUB 199 268 GLY B 12 81 LYS A Protein B 4 FT #SUB 199 268 GLY B 14 83 PRO A Protein B 1 FT #SUB 200 269 GLY B 14 83 PRO A Protein B 3 FT #SUB 247 316 GLU B 17 86 LYS A Protein S 3 FT #HET 25 94 GLN B 2 324 0IW B S 4 FT #HET 29 98 GLY B 2 324 0IW B B 3 FT #HET 31 100 CYS B 2 324 0IW B S 9 FT #HET 32 101 TRP B 2 324 0IW B A 4 FT #HET 70 139 LEU B 2 324 0IW B S 3 FT #HET 72 141 CYS B 2 324 0IW B B 1 FT #HET 73 142 GLU B 2 324 0IW B B 3 FT #HET 74 143 GLY B 2 324 0IW B B 12 FT #HET 75 144 GLY B 2 324 0IW B B 15 FT #HET 77 146 LEU B 2 324 0IW B S 2 FT #HET 175 244 GLY B 2 324 0IW B B 1 FT #HET 200 269 GLY B 2 324 0IW B B 9 FT #HET 201 270 HIS B 2 324 0IW B A 17 FT #HET 223 292 TRP B 2 324 0IW B S 5 FT #HET 247 316 GLU B 2 324 0IW B S 4 FT DISORDER 49 53 CC SEQUENCE 249 AA (ATOM); CC VEIPSSFDSR KKWPRCKSIA TIRDQSRCGS CWAFGAVEAM SDRSCIQSVE LSAVDLLSCC CC ESCGLGCEGG ILGPAWDYWV KEGIVTGSSK ENHAGCEPYP FPKCEHHTKG KYPPCGSKIY CC KTPRCKQTCQ KKYKTPYTQD KHRGKSSYNV KNDEKAIQKE IMKYGPVEAG FTVYEDFLNY CC KSGIYKHITG ETLGGHAIRI IGWGVENKAP YWLIANSWNE DWGENGYFRI VRGRDECSIE CC SEVTAGRIN CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES VEIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQSGG CC ATOM VEIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQS-- CC ************************************************ CC SEQRES KQNVELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG CC ATOM ---VELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG CC *********************************************** CC SEQRES CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK CC ATOM CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK CC ************************************************** CC SEQRES SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG CC ATOM SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG CC ************************************************** CC SEQRES HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA CC ATOM HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA CC ************************************************** CC SEQRES GRIN CC ATOM GRIN CC **** SQ SEQUENCE 254 AA; MW; CN; VEIPSSFDSR KKWPRCKSIA TIRDQSRCGS CWAFGAVEAM SDRSCIQSGG KQNVELSAVD LLSCCESCGL GCEGGILGPA WDYWVKEGIV TGSSKENHAG CEPYPFPKCE HHTKGKYPPC GSKIYKTPRC KQTCQKKYKT PYTQDKHRGK SSYNVKNDEK AIQKEIMKYG PVEAGFTVYE DFLNYKSGIY KHITGETLGG HAIRIIGWGV ENKAPYWLIA NSWNEDWGEN GYFRIVRGRD ECSIESEVTA GRIN // ID 3S3RC STANDARD; PRT; 254 AA. DT CONVERTED FROM PDB (SEQRES) 3S3R DE Cathepsin B-like peptidase (C01 family) OS Schistosoma mansoni CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.640 CC R-Factor 0.208 FT #SUB 10 79 ARG C 70 139 LEU A Protein S 3 FT #SUB 11 80 LYS C 73 142 GLU A Protein S 8 FT #SUB 11 80 LYS C 198 267 LEU A Protein B 1 FT #SUB 11 80 LYS C 199 268 GLY A Protein B 1 FT #SUB 12 81 LYS C 197 266 THR A Protein S 3 FT #SUB 12 81 LYS C 199 268 GLY A Protein B 3 FT #SUB 14 83 PRO C 200 269 GLY A Protein S 3 FT #SUB 15 84 ARG C 177 246 THR A Protein S 2 FT #SUB 17 86 LYS C 247 316 GLU A Protein S 4 FT #HET 10 79 ARG C 1 324 0IW A B 2 FT #HET 11 80 LYS C 1 324 0IW A B 1 FT #HET 14 83 PRO C 1 324 0IW A A 12 FT #HET 15 84 ARG C 1 324 0IW A B 1 FT #HET 25 94 GLN C 3 324 0IW C S 5 FT #HET 29 98 GLY C 3 324 0IW C B 9 FT #HET 31 100 CYS C 3 324 0IW C A 9 FT #HET 32 101 TRP C 3 324 0IW C S 3 FT #HET 70 139 LEU C 3 324 0IW C S 1 FT #HET 72 141 CYS C 3 324 0IW C B 1 FT #HET 73 142 GLU C 3 324 0IW C B 2 FT #HET 74 143 GLY C 3 324 0IW C B 12 FT #HET 75 144 GLY C 3 324 0IW C B 21 FT #HET 76 145 ILE C 3 324 0IW C S 1 FT #HET 77 146 LEU C 3 324 0IW C S 3 FT #HET 175 244 GLY C 3 324 0IW C B 1 FT #HET 176 245 PHE C 3 324 0IW C B 1 FT #HET 200 269 GLY C 3 324 0IW C B 11 FT #HET 201 270 HIS C 3 324 0IW C A 18 FT #HET 223 292 TRP C 3 324 0IW C S 5 FT #HET 247 316 GLU C 3 324 0IW C S 2 FT DISORDER 1 1 CC SEQUENCE 253 AA (ATOM); CC EIPSSFDSRK KWPRCKSIAT IRDQSRCGSC WAFGAVEAMS DRSCIQSGGK QNVELSAVDL CC LSCCESCGLG CEGGILGPAW DYWVKEGIVT GSSKENHAGC EPYPFPKCEH HTKGKYPPCG CC SKIYKTPRCK QTCQKKYKTP YTQDKHRGKS SYNVKNDEKA IQKEIMKYGP VEAGFTVYED CC FLNYKSGIYK HITGETLGGH AIRIIGWGVE NKAPYWLIAN SWNEDWGENG YFRIVRGRDE CC CSIESEVTAG RIN CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES VEIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQSGG CC ATOM -EIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQSGG CC ************************************************* CC SEQRES KQNVELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG CC ATOM KQNVELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG CC ************************************************** CC SEQRES CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK CC ATOM CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK CC ************************************************** CC SEQRES SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG CC ATOM SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG CC ************************************************** CC SEQRES HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA CC ATOM HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA CC ************************************************** CC SEQRES GRIN CC ATOM GRIN CC **** SQ SEQUENCE 254 AA; MW; CN; VEIPSSFDSR KKWPRCKSIA TIRDQSRCGS CWAFGAVEAM SDRSCIQSGG KQNVELSAVD LLSCCESCGL GCEGGILGPA WDYWVKEGIV TGSSKENHAG CEPYPFPKCE HHTKGKYPPC GSKIYKTPRC KQTCQKKYKT PYTQDKHRGK SSYNVKNDEK AIQKEIMKYG PVEAGFTVYE DFLNYKSGIY KHITGETLGG HAIRIIGWGV ENKAPYWLIA NSWNEDWGEN GYFRIVRGRD ECSIESEVTA GRIN //