ID 4TSYA STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSY DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.140 CC R-Factor 0.200 FT #SUB 7 7 ALA A 9 9 ILE B Protein B 1 FT #SUB 10 10 ASP A 9 9 ILE B Protein A 2 FT #SUB 11 11 GLY A 9 9 ILE B Protein B 1 FT #SUB 14 14 LEU A 9 9 ILE B Protein S 1 FT #SUB 14 14 LEU A 12 12 ALA B Protein S 2 FT #SUB 14 14 LEU A 13 13 GLY B Protein S 2 FT #SUB 18 18 VAL A 16 16 PHE B Protein A 2 FT #SUB 21 21 THR A 16 16 PHE B Protein S 1 FT #SUB 146 146 ASP A 50 50 THR B Protein B 1 FT #SUB 147 147 ASN A 49 49 ASN B Protein B 3 FT #SUB 147 147 ASN A 50 50 THR B Protein A 4 FT #SUB 147 147 ASN A 52 52 PHE B Protein S 3 FT #SUB 147 147 ASN A 73 73 TYR B Protein S 1 FT #SUB 148 148 GLY A 48 48 MET B Protein B 2 FT #SUB 148 148 GLY A 49 49 ASN B Protein B 2 FT #SUB 148 148 GLY A 127 127 ARG B Protein B 1 FT #SUB 149 149 TRP A 47 47 ALA B Protein S 3 FT #SUB 149 149 TRP A 48 48 MET B Protein A 5 FT #SUB 149 149 TRP A 60 60 VAL B Protein S 1 FT #SUB 149 149 TRP A 61 61 LEU B Protein S 3 FT #SUB 149 149 TRP A 63 63 HIS B Protein S 8 FT #SUB 149 149 TRP A 127 127 ARG B Protein B 4 FT #SUB 150 150 HIS A 127 127 ARG B Protein S 3 FT #SUB 161 161 ARG A 63 63 HIS B Protein S 10 FT #SUB 163 163 PHE A 59 59 ILE B Protein S 1 FT #SUB 163 163 PHE A 60 60 VAL B Protein S 1 FT #SUB 163 163 PHE A 61 61 LEU B Protein S 5 FT #SUB 165 165 ASN A 57 57 SER B Protein S 3 FT #SUB 165 165 ASN A 58 58 ASP B Protein S 1 FT #SUB 166 166 SER A 56 56 THR B Protein A 4 FT #SUB 167 167 SER A 56 56 THR B Protein A 3 FT #SUB 167 167 SER A 57 57 SER B Protein S 2 FT #SUB 167 167 SER A 58 58 ASP B Protein S 3 FT #SUB 169 169 HIS A 58 58 ASP B Protein S 1 FT #SUB 169 169 HIS A 79 79 ARG B Protein S 10 FT #SUB 171 171 ILE A 60 60 VAL B Protein S 3 FT #SUB 173 173 GLU A 60 60 VAL B Protein S 2 FT #HET 29 29 VAL A 10 201 HXJ B S 1 FT #HET 31 31 ARG A 10 201 HXJ B S 4 FT #HET 42 42 GLY A 6 206 SO4 A B 1 FT #HET 43 43 LYS A 6 206 SO4 A B 2 FT #HET 43 43 LYS A 9 209 HTO A S 4 FT #HET 44 44 THR A 6 206 SO4 A A 8 FT #HET 51 51 TYR A 8 208 SO4 A S 1 FT #HET 52 52 PHE A 8 208 SO4 A B 1 FT #HET 53 53 ARG A 1 201 HXJ A S 3 FT #HET 53 53 ARG A 4 204 SO4 A S 10 FT #HET 53 53 ARG A 8 208 SO4 A A 5 FT #HET 54 54 SER A 1 201 HXJ A S 2 FT #HET 79 79 ARG A 7 207 SO4 A S 9 FT #HET 83 83 ALA A 1 201 HXJ A B 4 FT #HET 84 84 THR A 1 201 HXJ A B 2 FT #HET 85 85 GLY A 1 201 HXJ A B 4 FT #HET 87 87 VAL A 1 201 HXJ A S 1 FT #HET 95 95 SER A 6 206 SO4 A S 3 FT #HET 95 95 SER A 9 209 HTO A A 2 FT #HET 96 96 ASP A 9 209 HTO A A 3 FT #HET 105 105 SER A 1 201 HXJ A S 1 FT #HET 107 107 PRO A 1 201 HXJ A A 2 FT #HET 108 108 TYR A 1 201 HXJ A A 3 FT #HET 110 110 TYR A 10 201 HXJ B S 1 FT #HET 111 111 ASN A 2 202 HXJ A B 3 FT #HET 112 112 TRP A 2 202 HXJ A A 7 FT #HET 113 113 TYR A 1 201 HXJ A S 9 FT #HET 113 113 TYR A 2 202 HXJ A A 7 FT #HET 114 114 SER A 2 202 HXJ A B 1 FT #HET 116 116 TRP A 2 202 HXJ A S 9 FT #HET 120 120 ARG A 3 203 SO4 A S 3 FT #HET 121 121 VAL A 3 203 SO4 A B 1 FT #HET 122 122 TYR A 3 203 SO4 A A 7 FT #HET 123 123 LYS A 3 203 SO4 A A 5 FT #HET 130 130 GLN A 4 204 SO4 A S 1 FT #HET 133 133 TYR A 1 201 HXJ A S 3 FT #HET 133 133 TYR A 4 204 SO4 A S 8 FT #HET 137 137 TYR A 1 201 HXJ A S 4 FT #HET 137 137 TYR A 2 202 HXJ A A 12 FT #HET 138 138 TYR A 1 201 HXJ A S 1 FT #HET 138 138 TYR A 4 204 SO4 A S 7 FT #HET 142 142 PRO A 2 202 HXJ A S 2 FT #HET 149 149 TRP A 5 205 SO4 A S 1 FT #HET 161 161 ARG A 5 205 SO4 A S 8 FT #HET 166 166 SER A 10 201 HXJ B B 3 FT #HET 167 167 SER A 10 201 HXJ B A 5 FT #HET 168 168 GLY A 10 201 HXJ B B 4 FT #HET 173 173 GLU A 5 205 SO4 A S 1 FT #HET 175 175 HIS A 5 205 SO4 A S 8 FT DISORDER 1 3 CC SEQUENCE 176 AA (ATOM); CC VAGAVIDGAG LGFDVLKTVL EALGNVKRKI AVGIDNESGK TWTAMNTYFR SGTSDIVLPH CC KVAHGKALLY NGQKNRGPVA TGVVGVIAYS MSDGNTLAVL FSVPYDYNWY SNWWNVRVYK CC GQKRADQRMY EELYYHRSPF RGDNGWHSRG LGYGLKSRGF MNSSGHAILE IHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM ---VAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC *********************************************** CC SEQRES YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ATOM YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ************************************************** CC SEQRES AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ATOM AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ************************************************** CC SEQRES SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ATOM SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ***************************** SQ SEQUENCE 179 AA; MW; CN; SADVAGAVID GAGLGFDVLK TVLEALGNVK RKIAVGIDNE SGKTWTAMNT YFRSGTSDIV LPHKVAHGKA LLYNGQKNRG PVATGVVGVI AYSMSDGNTL AVLFSVPYDY NWYSNWWNVR VYKGQKRADQ RMYEELYYHR SPFRGDNGWH SRGLGYGLKS RGFMNSSGHA ILEIHVTKA // ID 4TSYB STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSY DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.140 CC R-Factor 0.200 FT #SUB 9 9 ILE B 7 7 ALA A Protein S 1 FT #SUB 9 9 ILE B 10 10 ASP A Protein S 2 FT #SUB 9 9 ILE B 11 11 GLY A Protein S 1 FT #SUB 9 9 ILE B 14 14 LEU A Protein B 1 FT #SUB 12 12 ALA B 14 14 LEU A Protein A 2 FT #SUB 13 13 GLY B 14 14 LEU A Protein B 2 FT #SUB 16 16 PHE B 18 18 VAL A Protein S 2 FT #SUB 16 16 PHE B 21 21 THR A Protein S 1 FT #SUB 47 47 ALA B 149 149 TRP A Protein A 3 FT #SUB 48 48 MET B 148 148 GLY A Protein B 2 FT #SUB 48 48 MET B 149 149 TRP A Protein B 5 FT #SUB 49 49 ASN B 147 147 ASN A Protein A 3 FT #SUB 49 49 ASN B 148 148 GLY A Protein A 2 FT #SUB 50 50 THR B 146 146 ASP A Protein B 1 FT #SUB 50 50 THR B 147 147 ASN A Protein B 4 FT #SUB 52 52 PHE B 147 147 ASN A Protein S 3 FT #SUB 56 56 THR B 166 166 SER A Protein A 4 FT #SUB 56 56 THR B 167 167 SER A Protein S 3 FT #SUB 57 57 SER B 165 165 ASN A Protein B 3 FT #SUB 57 57 SER B 167 167 SER A Protein B 2 FT #SUB 58 58 ASP B 165 165 ASN A Protein B 1 FT #SUB 58 58 ASP B 167 167 SER A Protein S 3 FT #SUB 58 58 ASP B 169 169 HIS A Protein S 1 FT #SUB 59 59 ILE B 163 163 PHE A Protein B 1 FT #SUB 60 60 VAL B 149 149 TRP A Protein S 1 FT #SUB 60 60 VAL B 163 163 PHE A Protein B 1 FT #SUB 60 60 VAL B 171 171 ILE A Protein A 3 FT #SUB 60 60 VAL B 173 173 GLU A Protein S 2 FT #SUB 61 61 LEU B 149 149 TRP A Protein B 3 FT #SUB 61 61 LEU B 163 163 PHE A Protein A 5 FT #SUB 63 63 HIS B 149 149 TRP A Protein S 8 FT #SUB 63 63 HIS B 161 161 ARG A Protein S 10 FT #SUB 73 73 TYR B 147 147 ASN A Protein S 1 FT #SUB 79 79 ARG B 169 169 HIS A Protein S 10 FT #SUB 127 127 ARG B 148 148 GLY A Protein S 1 FT #SUB 127 127 ARG B 149 149 TRP A Protein S 4 FT #SUB 127 127 ARG B 150 150 HIS A Protein S 3 FT #SUB 7 7 ALA B 9 9 ILE C Protein B 1 FT #SUB 10 10 ASP B 9 9 ILE C Protein A 2 FT #SUB 11 11 GLY B 9 9 ILE C Protein B 2 FT #SUB 14 14 LEU B 9 9 ILE C Protein S 1 FT #SUB 14 14 LEU B 12 12 ALA C Protein S 2 FT #SUB 14 14 LEU B 13 13 GLY C Protein S 2 FT #SUB 18 18 VAL B 16 16 PHE C Protein A 3 FT #SUB 146 146 ASP B 50 50 THR C Protein B 1 FT #SUB 147 147 ASN B 49 49 ASN C Protein B 3 FT #SUB 147 147 ASN B 50 50 THR C Protein A 5 FT #SUB 147 147 ASN B 52 52 PHE C Protein S 3 FT #SUB 147 147 ASN B 73 73 TYR C Protein S 1 FT #SUB 148 148 GLY B 48 48 MET C Protein B 2 FT #SUB 148 148 GLY B 49 49 ASN C Protein B 2 FT #SUB 148 148 GLY B 127 127 ARG C Protein B 1 FT #SUB 149 149 TRP B 47 47 ALA C Protein S 3 FT #SUB 149 149 TRP B 48 48 MET C Protein A 5 FT #SUB 149 149 TRP B 60 60 VAL C Protein S 1 FT #SUB 149 149 TRP B 61 61 LEU C Protein S 4 FT #SUB 149 149 TRP B 63 63 HIS C Protein S 8 FT #SUB 149 149 TRP B 127 127 ARG C Protein B 4 FT #SUB 150 150 HIS B 127 127 ARG C Protein S 3 FT #SUB 161 161 ARG B 63 63 HIS C Protein S 10 FT #SUB 163 163 PHE B 59 59 ILE C Protein S 1 FT #SUB 163 163 PHE B 60 60 VAL C Protein S 1 FT #SUB 163 163 PHE B 61 61 LEU C Protein S 5 FT #SUB 165 165 ASN B 57 57 SER C Protein S 4 FT #SUB 165 165 ASN B 58 58 ASP C Protein S 1 FT #SUB 166 166 SER B 56 56 THR C Protein A 4 FT #SUB 167 167 SER B 56 56 THR C Protein A 3 FT #SUB 167 167 SER B 57 57 SER C Protein S 2 FT #SUB 167 167 SER B 58 58 ASP C Protein S 3 FT #SUB 169 169 HIS B 58 58 ASP C Protein S 1 FT #SUB 169 169 HIS B 79 79 ARG C Protein S 12 FT #SUB 171 171 ILE B 60 60 VAL C Protein S 3 FT #SUB 173 173 GLU B 60 60 VAL C Protein S 3 FT #HET 31 31 ARG B 18 201 HXJ C S 4 FT #HET 53 53 ARG B 11 202 HXJ B S 2 FT #HET 53 53 ARG B 14 205 SO4 B S 9 FT #HET 54 54 SER B 11 202 HXJ B S 3 FT #HET 56 56 THR B 10 201 HXJ B S 1 FT #HET 63 63 HIS B 5 205 SO4 A S 8 FT #HET 78 78 ASN B 10 201 HXJ B A 7 FT #HET 79 79 ARG B 10 201 HXJ B A 19 FT #HET 81 81 PRO B 10 201 HXJ B S 2 FT #HET 83 83 ALA B 11 202 HXJ B A 2 FT #HET 84 84 THR B 11 202 HXJ B A 3 FT #HET 85 85 GLY B 11 202 HXJ B B 4 FT #HET 87 87 VAL B 11 202 HXJ B S 2 FT #HET 105 105 SER B 11 202 HXJ B S 1 FT #HET 107 107 PRO B 11 202 HXJ B A 5 FT #HET 108 108 TYR B 11 202 HXJ B A 3 FT #HET 110 110 TYR B 18 201 HXJ C S 1 FT #HET 111 111 ASN B 12 203 HXJ B B 2 FT #HET 112 112 TRP B 11 202 HXJ B S 1 FT #HET 112 112 TRP B 12 203 HXJ B A 9 FT #HET 113 113 TYR B 11 202 HXJ B S 11 FT #HET 113 113 TYR B 12 203 HXJ B S 2 FT #HET 113 113 TYR B 16 207 SO4 B B 1 FT #HET 114 114 SER B 16 207 SO4 B A 6 FT #HET 116 116 TRP B 12 203 HXJ B S 6 FT #HET 116 116 TRP B 16 207 SO4 B S 1 FT #HET 120 120 ARG B 13 204 SO4 B S 4 FT #HET 121 121 VAL B 13 204 SO4 B B 1 FT #HET 122 122 TYR B 13 204 SO4 B A 6 FT #HET 123 123 LYS B 13 204 SO4 B A 3 FT #HET 130 130 GLN B 14 205 SO4 B S 1 FT #HET 133 133 TYR B 11 202 HXJ B S 2 FT #HET 133 133 TYR B 14 205 SO4 B S 6 FT #HET 137 137 TYR B 11 202 HXJ B S 4 FT #HET 137 137 TYR B 12 203 HXJ B A 12 FT #HET 138 138 TYR B 11 202 HXJ B S 1 FT #HET 138 138 TYR B 14 205 SO4 B S 6 FT #HET 142 142 PRO B 12 203 HXJ B S 2 FT #HET 144 144 ARG B 16 207 SO4 B S 3 FT #HET 149 149 TRP B 17 208 SO4 B B 2 FT #HET 150 150 HIS B 17 208 SO4 B B 3 FT #HET 151 151 SER B 17 208 SO4 B A 9 FT #HET 161 161 ARG B 15 206 SO4 B S 5 FT #HET 166 166 SER B 18 201 HXJ C B 2 FT #HET 167 167 SER B 18 201 HXJ C A 6 FT #HET 168 168 GLY B 18 201 HXJ C B 4 FT #HET 173 173 GLU B 15 206 SO4 B S 1 FT #HET 175 175 HIS B 15 206 SO4 B S 10 FT DISORDER 1 3 CC SEQUENCE 176 AA (ATOM); CC VAGAVIDGAG LGFDVLKTVL EALGNVKRKI AVGIDNESGK TWTAMNTYFR SGTSDIVLPH CC KVAHGKALLY NGQKNRGPVA TGVVGVIAYS MSDGNTLAVL FSVPYDYNWY SNWWNVRVYK CC GQKRADQRMY EELYYHRSPF RGDNGWHSRG LGYGLKSRGF MNSSGHAILE IHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM ---VAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC *********************************************** CC SEQRES YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ATOM YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ************************************************** CC SEQRES AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ATOM AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ************************************************** CC SEQRES SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ATOM SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ***************************** SQ SEQUENCE 179 AA; MW; CN; SADVAGAVID GAGLGFDVLK TVLEALGNVK RKIAVGIDNE SGKTWTAMNT YFRSGTSDIV LPHKVAHGKA LLYNGQKNRG PVATGVVGVI AYSMSDGNTL AVLFSVPYDY NWYSNWWNVR VYKGQKRADQ RMYEELYYHR SPFRGDNGWH SRGLGYGLKS RGFMNSSGHA ILEIHVTKA // ID 4TSYC STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSY DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.140 CC R-Factor 0.200 FT #SUB 9 9 ILE C 7 7 ALA B Protein S 1 FT #SUB 9 9 ILE C 10 10 ASP B Protein S 2 FT #SUB 9 9 ILE C 11 11 GLY B Protein S 2 FT #SUB 9 9 ILE C 14 14 LEU B Protein B 1 FT #SUB 12 12 ALA C 14 14 LEU B Protein A 2 FT #SUB 13 13 GLY C 14 14 LEU B Protein B 2 FT #SUB 16 16 PHE C 18 18 VAL B Protein S 3 FT #SUB 47 47 ALA C 149 149 TRP B Protein A 3 FT #SUB 48 48 MET C 148 148 GLY B Protein B 2 FT #SUB 48 48 MET C 149 149 TRP B Protein B 5 FT #SUB 49 49 ASN C 147 147 ASN B Protein A 3 FT #SUB 49 49 ASN C 148 148 GLY B Protein A 2 FT #SUB 50 50 THR C 146 146 ASP B Protein B 1 FT #SUB 50 50 THR C 147 147 ASN B Protein B 5 FT #SUB 52 52 PHE C 147 147 ASN B Protein S 3 FT #SUB 56 56 THR C 166 166 SER B Protein A 4 FT #SUB 56 56 THR C 167 167 SER B Protein S 3 FT #SUB 57 57 SER C 165 165 ASN B Protein B 4 FT #SUB 57 57 SER C 167 167 SER B Protein B 2 FT #SUB 58 58 ASP C 165 165 ASN B Protein B 1 FT #SUB 58 58 ASP C 167 167 SER B Protein S 3 FT #SUB 58 58 ASP C 169 169 HIS B Protein S 1 FT #SUB 59 59 ILE C 163 163 PHE B Protein B 1 FT #SUB 60 60 VAL C 149 149 TRP B Protein S 1 FT #SUB 60 60 VAL C 163 163 PHE B Protein B 1 FT #SUB 60 60 VAL C 171 171 ILE B Protein A 3 FT #SUB 60 60 VAL C 173 173 GLU B Protein S 3 FT #SUB 61 61 LEU C 149 149 TRP B Protein B 4 FT #SUB 61 61 LEU C 163 163 PHE B Protein A 5 FT #SUB 63 63 HIS C 149 149 TRP B Protein S 8 FT #SUB 63 63 HIS C 161 161 ARG B Protein S 10 FT #SUB 73 73 TYR C 147 147 ASN B Protein S 1 FT #SUB 79 79 ARG C 169 169 HIS B Protein S 12 FT #SUB 127 127 ARG C 148 148 GLY B Protein S 1 FT #SUB 127 127 ARG C 149 149 TRP B Protein S 4 FT #SUB 127 127 ARG C 150 150 HIS B Protein S 3 FT #SUB 7 7 ALA C 9 9 ILE D Protein B 1 FT #SUB 10 10 ASP C 9 9 ILE D Protein A 3 FT #SUB 11 11 GLY C 9 9 ILE D Protein B 2 FT #SUB 14 14 LEU C 9 9 ILE D Protein S 1 FT #SUB 14 14 LEU C 12 12 ALA D Protein S 2 FT #SUB 14 14 LEU C 13 13 GLY D Protein S 2 FT #SUB 18 18 VAL C 16 16 PHE D Protein A 2 FT #SUB 21 21 THR C 16 16 PHE D Protein S 1 FT #SUB 146 146 ASP C 50 50 THR D Protein B 1 FT #SUB 147 147 ASN C 49 49 ASN D Protein B 3 FT #SUB 147 147 ASN C 50 50 THR D Protein A 5 FT #SUB 147 147 ASN C 52 52 PHE D Protein S 3 FT #SUB 147 147 ASN C 73 73 TYR D Protein S 1 FT #SUB 148 148 GLY C 48 48 MET D Protein B 2 FT #SUB 148 148 GLY C 49 49 ASN D Protein B 2 FT #SUB 148 148 GLY C 127 127 ARG D Protein B 1 FT #SUB 149 149 TRP C 47 47 ALA D Protein S 3 FT #SUB 149 149 TRP C 48 48 MET D Protein A 6 FT #SUB 149 149 TRP C 60 60 VAL D Protein S 1 FT #SUB 149 149 TRP C 61 61 LEU D Protein S 5 FT #SUB 149 149 TRP C 63 63 HIS D Protein S 11 FT #SUB 149 149 TRP C 127 127 ARG D Protein B 4 FT #SUB 150 150 HIS C 127 127 ARG D Protein S 3 FT #SUB 161 161 ARG C 63 63 HIS D Protein S 4 FT #SUB 163 163 PHE C 59 59 ILE D Protein S 1 FT #SUB 163 163 PHE C 60 60 VAL D Protein S 2 FT #SUB 163 163 PHE C 61 61 LEU D Protein S 5 FT #SUB 165 165 ASN C 57 57 SER D Protein S 4 FT #SUB 165 165 ASN C 58 58 ASP D Protein S 1 FT #SUB 166 166 SER C 56 56 THR D Protein A 3 FT #SUB 167 167 SER C 56 56 THR D Protein A 3 FT #SUB 167 167 SER C 57 57 SER D Protein S 2 FT #SUB 167 167 SER C 58 58 ASP D Protein S 3 FT #SUB 169 169 HIS C 58 58 ASP D Protein S 2 FT #SUB 169 169 HIS C 79 79 ARG D Protein S 11 FT #SUB 171 171 ILE C 58 58 ASP D Protein S 1 FT #SUB 171 171 ILE C 59 59 ILE D Protein S 2 FT #SUB 171 171 ILE C 60 60 VAL D Protein S 3 FT #SUB 173 173 GLU C 60 60 VAL D Protein S 3 FT #HET 26 26 LEU C 21 204 HXJ C S 1 FT #HET 29 29 VAL C 21 204 HXJ C S 1 FT #HET 31 31 ARG C 21 204 HXJ C S 4 FT #HET 53 53 ARG C 19 202 HXJ C S 3 FT #HET 53 53 ARG C 23 206 SO4 C S 10 FT #HET 54 54 SER C 19 202 HXJ C S 2 FT #HET 56 56 THR C 18 201 HXJ C S 2 FT #HET 63 63 HIS C 15 206 SO4 B S 4 FT #HET 78 78 ASN C 18 201 HXJ C A 7 FT #HET 79 79 ARG C 18 201 HXJ C A 18 FT #HET 82 82 VAL C 18 201 HXJ C S 1 FT #HET 83 83 ALA C 19 202 HXJ C B 2 FT #HET 84 84 THR C 19 202 HXJ C A 3 FT #HET 85 85 GLY C 19 202 HXJ C B 3 FT #HET 87 87 VAL C 19 202 HXJ C S 2 FT #HET 105 105 SER C 19 202 HXJ C S 1 FT #HET 107 107 PRO C 19 202 HXJ C A 3 FT #HET 108 108 TYR C 19 202 HXJ C A 2 FT #HET 109 109 ASP C 19 202 HXJ C S 2 FT #HET 110 110 TYR C 21 204 HXJ C S 2 FT #HET 111 111 ASN C 20 203 HXJ C B 3 FT #HET 112 112 TRP C 19 202 HXJ C S 2 FT #HET 112 112 TRP C 20 203 HXJ C A 8 FT #HET 113 113 TYR C 19 202 HXJ C S 4 FT #HET 113 113 TYR C 20 203 HXJ C S 5 FT #HET 114 114 SER C 25 208 SO4 C A 7 FT #HET 116 116 TRP C 20 203 HXJ C S 8 FT #HET 116 116 TRP C 25 208 SO4 C S 2 FT #HET 120 120 ARG C 22 205 SO4 C S 3 FT #HET 121 121 VAL C 22 205 SO4 C B 1 FT #HET 122 122 TYR C 22 205 SO4 C A 7 FT #HET 123 123 LYS C 22 205 SO4 C A 5 FT #HET 127 127 ARG C 17 208 SO4 B S 1 FT #HET 130 130 GLN C 23 206 SO4 C S 1 FT #HET 133 133 TYR C 19 202 HXJ C S 3 FT #HET 133 133 TYR C 23 206 SO4 C S 8 FT #HET 137 137 TYR C 19 202 HXJ C S 4 FT #HET 137 137 TYR C 20 203 HXJ C A 13 FT #HET 138 138 TYR C 19 202 HXJ C S 1 FT #HET 138 138 TYR C 20 203 HXJ C S 1 FT #HET 138 138 TYR C 23 206 SO4 C S 6 FT #HET 142 142 PRO C 20 203 HXJ C S 2 FT #HET 144 144 ARG C 25 208 SO4 C S 3 FT #HET 156 156 TYR C 22 205 SO4 C S 1 FT #HET 161 161 ARG C 24 207 SO4 C S 4 FT #HET 166 166 SER C 21 204 HXJ C B 3 FT #HET 167 167 SER C 21 204 HXJ C A 5 FT #HET 168 168 GLY C 21 204 HXJ C B 4 FT #HET 173 173 GLU C 24 207 SO4 C S 1 FT #HET 175 175 HIS C 24 207 SO4 C S 11 FT DISORDER 1 3 CC SEQUENCE 176 AA (ATOM); CC VAGAVIDGAG LGFDVLKTVL EALGNVKRKI AVGIDNESGK TWTAMNTYFR SGTSDIVLPH CC KVAHGKALLY NGQKNRGPVA TGVVGVIAYS MSDGNTLAVL FSVPYDYNWY SNWWNVRVYK CC GQKRADQRMY EELYYHRSPF RGDNGWHSRG LGYGLKSRGF MNSSGHAILE IHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM ---VAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC *********************************************** CC SEQRES YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ATOM YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ************************************************** CC SEQRES AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ATOM AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ************************************************** CC SEQRES SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ATOM SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ***************************** SQ SEQUENCE 179 AA; MW; CN; SADVAGAVID GAGLGFDVLK TVLEALGNVK RKIAVGIDNE SGKTWTAMNT YFRSGTSDIV LPHKVAHGKA LLYNGQKNRG PVATGVVGVI AYSMSDGNTL AVLFSVPYDY NWYSNWWNVR VYKGQKRADQ RMYEELYYHR SPFRGDNGWH SRGLGYGLKS RGFMNSSGHA ILEIHVTKA // ID 4TSYD STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSY DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.140 CC R-Factor 0.200 FT #SUB 9 9 ILE D 7 7 ALA C Protein S 1 FT #SUB 9 9 ILE D 10 10 ASP C Protein S 3 FT #SUB 9 9 ILE D 11 11 GLY C Protein S 2 FT #SUB 9 9 ILE D 14 14 LEU C Protein B 1 FT #SUB 12 12 ALA D 14 14 LEU C Protein A 2 FT #SUB 13 13 GLY D 14 14 LEU C Protein B 2 FT #SUB 16 16 PHE D 18 18 VAL C Protein S 2 FT #SUB 16 16 PHE D 21 21 THR C Protein S 1 FT #SUB 47 47 ALA D 149 149 TRP C Protein A 3 FT #SUB 48 48 MET D 148 148 GLY C Protein B 2 FT #SUB 48 48 MET D 149 149 TRP C Protein B 6 FT #SUB 49 49 ASN D 147 147 ASN C Protein A 3 FT #SUB 49 49 ASN D 148 148 GLY C Protein A 2 FT #SUB 50 50 THR D 146 146 ASP C Protein B 1 FT #SUB 50 50 THR D 147 147 ASN C Protein B 5 FT #SUB 52 52 PHE D 147 147 ASN C Protein S 3 FT #SUB 56 56 THR D 166 166 SER C Protein S 3 FT #SUB 56 56 THR D 167 167 SER C Protein S 3 FT #SUB 57 57 SER D 165 165 ASN C Protein B 4 FT #SUB 57 57 SER D 167 167 SER C Protein B 2 FT #SUB 58 58 ASP D 165 165 ASN C Protein B 1 FT #SUB 58 58 ASP D 167 167 SER C Protein S 3 FT #SUB 58 58 ASP D 169 169 HIS C Protein S 2 FT #SUB 58 58 ASP D 171 171 ILE C Protein B 1 FT #SUB 59 59 ILE D 163 163 PHE C Protein B 1 FT #SUB 59 59 ILE D 171 171 ILE C Protein B 2 FT #SUB 60 60 VAL D 149 149 TRP C Protein S 1 FT #SUB 60 60 VAL D 163 163 PHE C Protein B 2 FT #SUB 60 60 VAL D 171 171 ILE C Protein A 3 FT #SUB 60 60 VAL D 173 173 GLU C Protein S 3 FT #SUB 61 61 LEU D 149 149 TRP C Protein B 5 FT #SUB 61 61 LEU D 163 163 PHE C Protein A 5 FT #SUB 63 63 HIS D 149 149 TRP C Protein A 11 FT #SUB 63 63 HIS D 161 161 ARG C Protein S 4 FT #SUB 73 73 TYR D 147 147 ASN C Protein S 1 FT #SUB 79 79 ARG D 169 169 HIS C Protein S 11 FT #SUB 127 127 ARG D 148 148 GLY C Protein S 1 FT #SUB 127 127 ARG D 149 149 TRP C Protein S 4 FT #SUB 127 127 ARG D 150 150 HIS C Protein S 3 FT #HET 29 29 VAL D 28 203 HXJ D S 1 FT #HET 31 31 ARG D 28 203 HXJ D S 4 FT #HET 53 53 ARG D 30 205 SO4 D S 8 FT #HET 54 54 SER D 26 201 HXJ D S 3 FT #HET 56 56 THR D 21 204 HXJ C S 2 FT #HET 63 63 HIS D 24 207 SO4 C S 7 FT #HET 64 64 LYS D 24 207 SO4 C S 1 FT #HET 78 78 ASN D 21 204 HXJ C A 5 FT #HET 79 79 ARG D 21 204 HXJ C A 21 FT #HET 82 82 VAL D 21 204 HXJ C S 2 FT #HET 83 83 ALA D 26 201 HXJ D B 4 FT #HET 84 84 THR D 26 201 HXJ D A 3 FT #HET 85 85 GLY D 26 201 HXJ D B 5 FT #HET 87 87 VAL D 26 201 HXJ D S 1 FT #HET 105 105 SER D 26 201 HXJ D S 1 FT #HET 107 107 PRO D 26 201 HXJ D A 2 FT #HET 108 108 TYR D 26 201 HXJ D A 2 FT #HET 110 110 TYR D 28 203 HXJ D S 3 FT #HET 111 111 ASN D 27 202 HXJ D B 2 FT #HET 112 112 TRP D 26 201 HXJ D S 4 FT #HET 112 112 TRP D 27 202 HXJ D A 10 FT #HET 112 112 TRP D 32 207 SO4 D B 1 FT #HET 113 113 TYR D 26 201 HXJ D S 5 FT #HET 113 113 TYR D 27 202 HXJ D S 7 FT #HET 114 114 SER D 32 207 SO4 D A 4 FT #HET 116 116 TRP D 27 202 HXJ D S 10 FT #HET 116 116 TRP D 32 207 SO4 D S 3 FT #HET 120 120 ARG D 29 204 SO4 D S 2 FT #HET 121 121 VAL D 29 204 SO4 D B 1 FT #HET 122 122 TYR D 29 204 SO4 D A 4 FT #HET 123 123 LYS D 29 204 SO4 D A 4 FT #HET 130 130 GLN D 30 205 SO4 D S 1 FT #HET 133 133 TYR D 26 201 HXJ D S 3 FT #HET 133 133 TYR D 30 205 SO4 D S 7 FT #HET 137 137 TYR D 26 201 HXJ D S 2 FT #HET 137 137 TYR D 27 202 HXJ D A 9 FT #HET 138 138 TYR D 26 201 HXJ D S 1 FT #HET 138 138 TYR D 27 202 HXJ D S 1 FT #HET 138 138 TYR D 30 205 SO4 D S 8 FT #HET 142 142 PRO D 27 202 HXJ D S 2 FT #HET 144 144 ARG D 32 207 SO4 D S 2 FT #HET 161 161 ARG D 31 206 SO4 D S 4 FT #HET 166 166 SER D 28 203 HXJ D A 5 FT #HET 167 167 SER D 28 203 HXJ D A 6 FT #HET 168 168 GLY D 28 203 HXJ D B 3 FT #HET 173 173 GLU D 31 206 SO4 D S 1 FT #HET 175 175 HIS D 31 206 SO4 D S 9 FT DISORDER 1 3 CC SEQUENCE 176 AA (ATOM); CC VAGAVIDGAG LGFDVLKTVL EALGNVKRKI AVGIDNESGK TWTAMNTYFR SGTSDIVLPH CC KVAHGKALLY NGQKNRGPVA TGVVGVIAYS MSDGNTLAVL FSVPYDYNWY SNWWNVRVYK CC GQKRADQRMY EELYYHRSPF RGDNGWHSRG LGYGLKSRGF MNSSGHAILE IHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM ---VAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC *********************************************** CC SEQRES YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ATOM YFRSGTSDIVLPHKVAHGKALLYNGQKNRGPVATGVVGVIAYSMSDGNTL CC ************************************************** CC SEQRES AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ATOM AVLFSVPYDYNWYSNWWNVRVYKGQKRADQRMYEELYYHRSPFRGDNGWH CC ************************************************** CC SEQRES SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ATOM SRGLGYGLKSRGFMNSSGHAILEIHVTKA CC ***************************** SQ SEQUENCE 179 AA; MW; CN; SADVAGAVID GAGLGFDVLK TVLEALGNVK RKIAVGIDNE SGKTWTAMNT YFRSGTSDIV LPHKVAHGKA LLYNGQKNRG PVATGVVGVI AYSMSDGNTL AVLFSVPYDY NWYSNWWNVR VYKGQKRADQ RMYEELYYHR SPFRGDNGWH SRGLGYGLKS RGFMNSSGHA ILEIHVTKA //