ID 4TSOA STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSO DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.185 FT #SUB 110 110 TYR A 79 79 ARG B Protein S 14 FT #SUB 110 110 TYR A 80 80 GLY B Protein A 5 FT #SUB 110 110 TYR A 81 81 PRO B Protein B 2 FT #SUB 111 111 ASN A 30 30 LYS B Protein S 2 FT #SUB 111 111 ASN A 81 81 PRO B Protein B 1 FT #SUB 112 112 TRP A 81 81 PRO B Protein B 4 FT #SUB 113 113 TYR A 80 80 GLY B Protein B 1 FT #SUB 113 113 TYR A 81 81 PRO B Protein B 3 FT #SUB 114 114 SER A 79 79 ARG B Protein A 2 FT #SUB 144 144 ARG A 82 82 VAL B Protein S 1 FT #SUB 146 146 ASP A 78 78 ASN B Protein A 4 FT #SUB 147 147 ASN A 55 55 GLY B Protein S 1 FT #SUB 147 147 ASN A 56 56 THR B Protein S 8 FT #SUB 147 147 ASN A 78 78 ASN B Protein S 3 FT #SUB 166 166 SER A 56 56 THR B Protein S 1 FT #SUB 166 166 SER A 78 78 ASN B Protein S 9 FT #SUB 166 166 SER A 79 79 ARG B Protein A 5 FT #SUB 167 167 SER A 58 58 ASP B Protein S 5 FT #SUB 167 167 SER A 76 76 GLN B Protein S 1 FT #SUB 167 167 SER A 79 79 ARG B Protein B 1 FT #HET 30 30 LYS A 4 204 SO4 A S 6 FT #HET 31 31 ARG A 4 204 SO4 A S 5 FT #HET 53 53 ARG A 2 202 HXG A S 2 FT #HET 53 53 ARG A 3 203 HXG A S 11 FT #HET 53 53 ARG A 7 207 PO4 A B 1 FT #HET 54 54 SER A 2 202 HXG A S 4 FT #HET 54 54 SER A 7 207 PO4 A B 1 FT #HET 55 55 GLY A 7 207 PO4 A B 1 FT #HET 78 78 ASN A 7 207 PO4 A S 5 FT #HET 82 82 VAL A 7 207 PO4 A S 1 FT #HET 83 83 ALA A 2 202 HXG A B 4 FT #HET 84 84 THR A 2 202 HXG A A 4 FT #HET 84 84 THR A 7 207 PO4 A S 1 FT #HET 85 85 GLY A 2 202 HXG A B 4 FT #HET 105 105 SER A 2 202 HXG A S 1 FT #HET 107 107 PRO A 2 202 HXG A A 3 FT #HET 108 108 TYR A 2 202 HXG A A 3 FT #HET 109 109 ASP A 2 202 HXG A S 2 FT #HET 110 110 TYR A 11 204 SO4 B A 4 FT #HET 111 111 ASN A 1 201 HXG A B 2 FT #HET 112 112 TRP A 1 201 HXG A A 17 FT #HET 113 113 TYR A 1 201 HXG A S 8 FT #HET 113 113 TYR A 2 202 HXG A S 10 FT #HET 116 116 TRP A 1 201 HXG A S 8 FT #HET 120 120 ARG A 5 205 PO4 A S 7 FT #HET 121 121 VAL A 5 205 PO4 A B 1 FT #HET 122 122 TYR A 5 205 PO4 A S 1 FT #HET 123 123 LYS A 5 205 PO4 A A 4 FT #HET 130 130 GLN A 3 203 HXG A S 1 FT #HET 133 133 TYR A 2 202 HXG A S 4 FT #HET 133 133 TYR A 3 203 HXG A S 5 FT #HET 134 134 GLU A 3 203 HXG A S 5 FT #HET 137 137 TYR A 1 201 HXG A A 9 FT #HET 137 137 TYR A 2 202 HXG A S 4 FT #HET 138 138 TYR A 1 201 HXG A S 2 FT #HET 138 138 TYR A 3 203 HXG A S 7 FT #HET 139 139 HIS A 6 206 PO4 A S 7 FT #HET 142 142 PRO A 1 201 HXG A S 1 FT #HET 156 156 TYR A 5 205 PO4 A S 1 FT DISORDER 1 2 CC SEQUENCE 177 AA (ATOM); CC DVAGAVIDGA GLGFDVLKTV LEALGNVKRK IAVGIDNESG KTWTAMNTYF RSGTSDIVLP CC HKVAHGKALL YNGQKNRGPV ATGVVGVIAY SMSDGNTLAV LFSVPYDYNW YSNWWNVRVY CC KGQKRADQRM YEELYYHRSP FRGDNGWHSR GLGYGLKSRG FMNSSGHAIL EIHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM --DVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT 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 4TSOB STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSO DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.185 FT #SUB 30 30 LYS B 111 111 ASN A Protein S 2 FT #SUB 55 55 GLY B 147 147 ASN A Protein B 1 FT #SUB 56 56 THR B 147 147 ASN A Protein S 8 FT #SUB 56 56 THR B 166 166 SER A Protein S 1 FT #SUB 58 58 ASP B 167 167 SER A Protein S 5 FT #SUB 76 76 GLN B 167 167 SER A Protein S 1 FT #SUB 78 78 ASN B 146 146 ASP A Protein S 4 FT #SUB 78 78 ASN B 147 147 ASN A Protein S 3 FT #SUB 78 78 ASN B 166 166 SER A Protein A 9 FT #SUB 79 79 ARG B 110 110 TYR A Protein A 14 FT #SUB 79 79 ARG B 114 114 SER A Protein B 2 FT #SUB 79 79 ARG B 166 166 SER A Protein A 5 FT #SUB 79 79 ARG B 167 167 SER A Protein S 1 FT #SUB 80 80 GLY B 110 110 TYR A Protein B 5 FT #SUB 80 80 GLY B 113 113 TYR A Protein B 1 FT #SUB 81 81 PRO B 110 110 TYR A Protein A 2 FT #SUB 81 81 PRO B 111 111 ASN A Protein S 1 FT #SUB 81 81 PRO B 112 112 TRP A Protein S 4 FT #SUB 81 81 PRO B 113 113 TYR A Protein S 3 FT #SUB 82 82 VAL B 144 144 ARG A Protein S 1 FT #HET 28 28 ASN B 4 204 SO4 A A 4 FT #HET 28 28 ASN B 11 204 SO4 B B 1 FT #HET 29 29 VAL B 11 204 SO4 B B 2 FT #HET 30 30 LYS B 11 204 SO4 B A 11 FT #HET 30 30 LYS B 14 207 PO4 B A 3 FT #HET 31 31 ARG B 14 207 PO4 B S 1 FT #HET 53 53 ARG B 10 203 SO4 B S 6 FT #HET 54 54 SER B 8 201 HXG B S 3 FT #HET 63 63 HIS B 13 206 PO4 B S 1 FT #HET 64 64 LYS B 13 206 PO4 B S 2 FT #HET 77 77 LYS B 11 204 SO4 B S 5 FT #HET 79 79 ARG B 4 204 SO4 A S 7 FT #HET 79 79 ARG B 11 204 SO4 B A 12 FT #HET 80 80 GLY B 11 204 SO4 B B 3 FT #HET 81 81 PRO B 1 201 HXG A S 1 FT #HET 83 83 ALA B 8 201 HXG B A 6 FT #HET 84 84 THR B 8 201 HXG B A 5 FT #HET 85 85 GLY B 8 201 HXG B B 4 FT #HET 105 105 SER B 8 201 HXG B S 1 FT #HET 107 107 PRO B 8 201 HXG B A 4 FT #HET 108 108 TYR B 8 201 HXG B A 3 FT #HET 109 109 ASP B 8 201 HXG B S 1 FT #HET 110 110 TYR B 9 202 HXG B B 1 FT #HET 112 112 TRP B 8 201 HXG B S 4 FT #HET 112 112 TRP B 9 202 HXG B A 11 FT #HET 113 113 TYR B 8 201 HXG B S 13 FT #HET 113 113 TYR B 9 202 HXG B S 6 FT #HET 116 116 TRP B 9 202 HXG B S 9 FT #HET 120 120 ARG B 12 205 PO4 B S 5 FT #HET 121 121 VAL B 12 205 PO4 B B 1 FT #HET 122 122 TYR B 12 205 PO4 B A 5 FT #HET 123 123 LYS B 12 205 PO4 B A 6 FT #HET 130 130 GLN B 10 203 SO4 B S 2 FT #HET 133 133 TYR B 8 201 HXG B S 4 FT #HET 133 133 TYR B 10 203 SO4 B S 6 FT #HET 137 137 TYR B 8 201 HXG B S 4 FT #HET 137 137 TYR B 9 202 HXG B A 11 FT #HET 138 138 TYR B 8 201 HXG B S 1 FT #HET 138 138 TYR B 9 202 HXG B S 1 FT #HET 138 138 TYR B 10 203 SO4 B S 5 FT #HET 142 142 PRO B 9 202 HXG B S 2 FT #HET 156 156 TYR B 12 205 PO4 B S 1 FT #HET 169 169 HIS B 14 207 PO4 B S 1 FT DISORDER 1 2 CC SEQUENCE 177 AA (ATOM); CC DVAGAVIDGA GLGFDVLKTV LEALGNVKRK IAVGIDNESG KTWTAMNTYF RSGTSDIVLP CC HKVAHGKALL YNGQKNRGPV ATGVVGVIAY SMSDGNTLAV LFSVPYDYNW YSNWWNVRVY CC KGQKRADQRM YEELYYHRSP FRGDNGWHSR GLGYGLKSRG FMNSSGHAIL EIHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM --DVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT 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 //