ID 4TSQA STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSQ DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.133 FT #SUB 24 24 GLU A 123 123 LYS B Protein S 6 FT #SUB 30 30 LYS A 96 96 ASP B Protein S 4 FT #SUB 31 31 ARG A 95 95 SER B Protein S 2 FT #SUB 31 31 ARG A 96 96 ASP B Protein S 3 FT #SUB 110 110 TYR A 44 44 THR B Protein A 3 FT #SUB 110 110 TYR A 95 95 SER B Protein S 2 FT #SUB 147 147 ASN A 46 46 THR B Protein S 1 FT #SUB 147 147 ASN A 125 125 GLN B Protein S 4 FT #SUB 165 165 ASN A 125 125 GLN B Protein S 4 FT #SUB 166 166 SER A 46 46 THR B Protein S 5 FT #SUB 166 166 SER A 93 93 SER B Protein S 1 FT #SUB 167 167 SER A 94 94 MET B Protein S 1 FT #SUB 167 167 SER A 95 95 SER B Protein A 2 FT #SUB 167 167 SER A 97 97 GLY B Protein S 1 FT #SUB 168 168 GLY A 95 95 SER B Protein B 3 FT #SUB 169 169 HIS A 96 96 ASP B Protein S 5 FT #SUB 169 169 HIS A 97 97 GLY B Protein S 3 FT #SUB 151 151 SER A 28 28 ASN C Protein S 5 FT #SUB 159 159 LYS A 28 28 ASN C Protein S 1 FT #SUB 178 178 LYS A 81 81 PRO C Protein S 2 FT #SUB 179 179 ALA A 80 80 GLY C Protein B 1 FT #SUB 179 179 ALA A 81 81 PRO C Protein B 3 FT #SUB 123 123 LYS A 21 21 THR E Protein S 1 FT #SUB 123 123 LYS A 24 24 GLU E Protein S 1 FT #SUB 143 143 PHE A 3 3 ASP E Protein S 1 FT #SUB 150 150 HIS A 3 3 ASP E Protein A 8 FT #SUB 151 151 SER A 3 3 ASP E Protein B 6 FT #SUB 156 156 TYR A 25 25 ALA E Protein A 9 FT #SUB 12 12 ALA A 95 95 SER F Protein S 1 FT #SUB 12 12 ALA A 96 96 ASP F Protein S 1 FT #SUB 12 12 ALA A 97 97 GLY F Protein A 3 FT #SUB 13 13 GLY A 125 125 GLN F Protein B 1 FT #SUB 17 17 ASP A 125 125 GLN F Protein S 1 FT #HET 43 43 LYS A 8 208 SCN A S 4 FT #HET 53 53 ARG A 1 201 HXG A S 10 FT #HET 53 53 ARG A 3 203 HXG A S 10 FT #HET 54 54 SER A 1 201 HXG A S 3 FT #HET 78 78 ASN A 6 206 PC A S 3 FT #HET 82 82 VAL A 6 206 PC A S 3 FT #HET 84 84 THR A 1 201 HXG A A 5 FT #HET 84 84 THR A 6 206 PC A S 6 FT #HET 85 85 GLY A 1 201 HXG A B 4 FT #HET 87 87 VAL A 1 201 HXG A S 2 FT #HET 94 94 MET A 8 208 SCN A A 6 FT #HET 96 96 ASP A 8 208 SCN A A 6 FT #HET 97 97 GLY A 8 208 SCN A B 1 FT #HET 98 98 ASN A 8 208 SCN A A 9 FT #HET 105 105 SER A 1 201 HXG A S 1 FT #HET 107 107 PRO A 1 201 HXG A A 4 FT #HET 108 108 TYR A 1 201 HXG A A 3 FT #HET 111 111 ASN A 4 204 HXG A B 4 FT #HET 112 112 TRP A 1 201 HXG A S 4 FT #HET 112 112 TRP A 2 202 HXG A A 6 FT #HET 112 112 TRP A 4 204 HXG A B 4 FT #HET 113 113 TYR A 1 201 HXG A S 12 FT #HET 113 113 TYR A 2 202 HXG A S 4 FT #HET 113 113 TYR A 4 204 HXG A B 1 FT #HET 114 114 SER A 4 204 HXG A A 7 FT #HET 116 116 TRP A 2 202 HXG A S 12 FT #HET 116 116 TRP A 4 204 HXG A S 2 FT #HET 120 120 ARG A 5 205 HXG A S 1 FT #HET 121 121 VAL A 5 205 HXG A B 2 FT #HET 122 122 TYR A 5 205 HXG A A 6 FT #HET 123 123 LYS A 5 205 HXG A A 4 FT #HET 130 130 GLN A 3 203 HXG A S 1 FT #HET 133 133 TYR A 1 201 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 4 FT #HET 137 137 TYR A 1 201 HXG A S 3 FT #HET 137 137 TYR A 2 202 HXG A A 12 FT #HET 138 138 TYR A 1 201 HXG A S 1 FT #HET 138 138 TYR A 2 202 HXG A S 2 FT #HET 138 138 TYR A 3 203 HXG A S 8 FT #HET 138 138 TYR A 7 207 PC A S 8 FT #HET 139 139 HIS A 7 207 PC A S 7 FT #HET 140 140 ARG A 5 205 HXG A S 11 FT #HET 142 142 PRO A 2 202 HXG A S 2 FT #HET 144 144 ARG A 4 204 HXG A S 6 FT #HET 154 154 LEU A 5 205 HXG A B 2 FT #HET 155 155 GLY A 5 205 HXG A B 1 FT #HET 156 156 TYR A 5 205 HXG A S 8 FT #HET 156 156 TYR A 8 208 SCN 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 4TSQB STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSQ DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.133 FT #SUB 44 44 THR B 110 110 TYR A Protein S 3 FT #SUB 46 46 THR B 147 147 ASN A Protein S 1 FT #SUB 46 46 THR B 166 166 SER A Protein S 5 FT #SUB 93 93 SER B 166 166 SER A Protein S 1 FT #SUB 94 94 MET B 167 167 SER A Protein B 1 FT #SUB 95 95 SER B 31 31 ARG A Protein B 2 FT #SUB 95 95 SER B 110 110 TYR A Protein S 2 FT #SUB 95 95 SER B 167 167 SER A Protein B 2 FT #SUB 95 95 SER B 168 168 GLY A Protein B 3 FT #SUB 96 96 ASP B 30 30 LYS A Protein S 4 FT #SUB 96 96 ASP B 31 31 ARG A Protein S 3 FT #SUB 96 96 ASP B 169 169 HIS A Protein B 5 FT #SUB 97 97 GLY B 167 167 SER A Protein B 1 FT #SUB 97 97 GLY B 169 169 HIS A Protein B 3 FT #SUB 123 123 LYS B 24 24 GLU A Protein S 6 FT #SUB 125 125 GLN B 147 147 ASN A Protein S 4 FT #SUB 125 125 GLN B 165 165 ASN A Protein S 4 FT #SUB 2 2 ALA B 139 139 HIS D Protein S 5 FT #SUB 4 4 VAL B 135 135 GLU D Protein S 2 FT #SUB 4 4 VAL B 140 140 ARG D Protein A 2 FT #SUB 5 5 ALA B 140 140 ARG D Protein A 7 FT #SUB 6 6 GLY B 139 139 HIS D Protein B 1 FT #SUB 24 24 GLU B 123 123 LYS D Protein B 4 FT #SUB 25 25 ALA B 123 123 LYS D Protein B 1 FT #SUB 26 26 LEU B 123 123 LYS D Protein B 5 FT #SUB 27 27 GLY B 156 156 TYR D Protein B 2 FT #SUB 58 58 ASP B 120 120 ARG D Protein B 1 FT #SUB 58 58 ASP B 155 155 GLY D Protein S 5 FT #SUB 60 60 VAL B 141 141 SER D Protein S 1 FT #SUB 79 79 ARG B 156 156 TYR D Protein S 6 FT #SUB 79 79 ARG B 157 157 GLY D Protein S 7 FT #SUB 131 131 ARG B 131 131 ARG F Protein S 1 FT #HET 43 43 LYS B 13 205 SCN B S 5 FT #HET 53 53 ARG B 10 202 HXG B S 5 FT #HET 53 53 ARG B 11 203 HXG B S 9 FT #HET 54 54 SER B 10 202 HXG B S 3 FT #HET 83 83 ALA B 10 202 HXG B B 1 FT #HET 84 84 THR B 10 202 HXG B A 5 FT #HET 85 85 GLY B 10 202 HXG B B 4 FT #HET 87 87 VAL B 10 202 HXG B S 1 FT #HET 94 94 MET B 13 205 SCN B A 6 FT #HET 96 96 ASP B 13 205 SCN B A 6 FT #HET 97 97 GLY B 13 205 SCN B B 1 FT #HET 98 98 ASN B 13 205 SCN B A 9 FT #HET 105 105 SER B 10 202 HXG B S 1 FT #HET 107 107 PRO B 10 202 HXG B A 5 FT #HET 108 108 TYR B 10 202 HXG B A 3 FT #HET 111 111 ASN B 12 204 HXG B B 4 FT #HET 112 112 TRP B 9 201 HXG B A 11 FT #HET 112 112 TRP B 12 204 HXG B B 4 FT #HET 113 113 TYR B 9 201 HXG B S 4 FT #HET 113 113 TYR B 10 202 HXG B S 15 FT #HET 113 113 TYR B 12 204 HXG B B 1 FT #HET 114 114 SER B 12 204 HXG B A 6 FT #HET 116 116 TRP B 9 201 HXG B S 12 FT #HET 116 116 TRP B 12 204 HXG B S 1 FT #HET 130 130 GLN B 11 203 HXG B S 3 FT #HET 133 133 TYR B 10 202 HXG B S 4 FT #HET 133 133 TYR B 11 203 HXG B S 5 FT #HET 134 134 GLU B 11 203 HXG B S 5 FT #HET 137 137 TYR B 9 201 HXG B A 13 FT #HET 137 137 TYR B 10 202 HXG B S 3 FT #HET 138 138 TYR B 9 201 HXG B S 2 FT #HET 138 138 TYR B 10 202 HXG B S 1 FT #HET 138 138 TYR B 11 203 HXG B S 18 FT #HET 139 139 HIS B 11 203 HXG B S 1 FT #HET 139 139 HIS B 14 206 CL B S 2 FT #HET 142 142 PRO B 9 201 HXG B S 2 FT #HET 144 144 ARG B 12 204 HXG B S 6 FT #HET 156 156 TYR B 13 205 SCN B S 2 FT DISORDER 1 1 CC SEQUENCE 178 AA (ATOM); CC ADVAGAVIDG AGLGFDVLKT VLEALGNVKR KIAVGIDNES GKTWTAMNTY FRSGTSDIVL CC PHKVAHGKAL LYNGQKNRGP VATGVVGVIA YSMSDGNTLA VLFSVPYDYN WYSNWWNVRV CC YKGQKRADQR MYEELYYHRS PFRGDNGWHS RGLGYGLKSR GFMNSSGHAI LEIHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM -ADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT 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 4TSQC STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSQ DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.133 FT #SUB 28 28 ASN C 151 151 SER A Protein S 5 FT #SUB 28 28 ASN C 159 159 LYS A Protein B 1 FT #SUB 80 80 GLY C 179 179 ALA A Protein B 1 FT #SUB 81 81 PRO C 178 178 LYS A Protein S 2 FT #SUB 81 81 PRO C 179 179 ALA A Protein A 3 FT #SUB 17 17 ASP C 151 151 SER D Protein S 1 FT #SUB 17 17 ASP C 161 161 ARG D Protein B 1 FT #SUB 20 20 LYS C 149 149 TRP D Protein S 2 FT #SUB 30 30 LYS C 56 56 THR E Protein S 3 FT #SUB 30 30 LYS C 58 58 ASP E Protein S 2 FT #SUB 81 81 PRO C 79 79 ARG E Protein A 6 FT #SUB 83 83 ALA C 79 79 ARG E Protein S 1 FT #SUB 109 109 ASP C 78 78 ASN E Protein S 6 FT #SUB 111 111 ASN C 53 53 ARG E Protein S 3 FT #SUB 111 111 ASN C 54 54 SER E Protein S 6 FT #SUB 111 111 ASN C 55 55 GLY E Protein S 5 FT #SUB 111 111 ASN C 78 78 ASN E Protein S 3 FT #SUB 112 112 TRP C 84 84 THR E Protein S 1 FT #SUB 57 57 SER C 157 157 GLY F Protein B 1 FT #SUB 58 58 ASP C 155 155 GLY F Protein B 2 FT #SUB 58 58 ASP C 156 156 TYR F Protein A 13 FT #SUB 60 60 VAL C 153 153 GLY F Protein S 2 FT #SUB 60 60 VAL C 154 154 LEU F Protein S 1 FT #SUB 60 60 VAL C 155 155 GLY F Protein S 2 FT #SUB 79 79 ARG C 96 96 ASP F Protein S 2 FT #HET 53 53 ARG C 16 202 HXG C S 3 FT #HET 53 53 ARG C 17 203 PC C S 7 FT #HET 54 54 SER C 16 202 HXG C S 3 FT #HET 83 83 ALA C 16 202 HXG C B 1 FT #HET 84 84 THR C 16 202 HXG C A 3 FT #HET 85 85 GLY C 16 202 HXG C B 4 FT #HET 87 87 VAL C 16 202 HXG C S 1 FT #HET 105 105 SER C 16 202 HXG C S 1 FT #HET 107 107 PRO C 16 202 HXG C A 4 FT #HET 108 108 TYR C 16 202 HXG C A 3 FT #HET 112 112 TRP C 15 201 HXG C A 8 FT #HET 113 113 TYR C 15 201 HXG C A 13 FT #HET 113 113 TYR C 16 202 HXG C S 14 FT #HET 114 114 SER C 15 201 HXG C B 1 FT #HET 116 116 TRP C 15 201 HXG C S 12 FT #HET 130 130 GLN C 17 203 PC C S 1 FT #HET 133 133 TYR C 16 202 HXG C S 4 FT #HET 133 133 TYR C 17 203 PC C S 6 FT #HET 134 134 GLU C 17 203 PC C S 3 FT #HET 137 137 TYR C 15 201 HXG C A 13 FT #HET 137 137 TYR C 16 202 HXG C S 7 FT #HET 138 138 TYR C 15 201 HXG C S 1 FT #HET 138 138 TYR C 16 202 HXG C S 1 FT #HET 138 138 TYR C 17 203 PC C S 9 FT #HET 142 142 PRO C 15 201 HXG C S 3 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 4TSQD STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSQ DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.133 FT #SUB 120 120 ARG D 58 58 ASP B Protein S 1 FT #SUB 123 123 LYS D 24 24 GLU B Protein S 4 FT #SUB 123 123 LYS D 25 25 ALA B Protein S 1 FT #SUB 123 123 LYS D 26 26 LEU B Protein S 5 FT #SUB 135 135 GLU D 4 4 VAL B Protein S 2 FT #SUB 139 139 HIS D 2 2 ALA B Protein S 5 FT #SUB 139 139 HIS D 6 6 GLY B Protein B 1 FT #SUB 140 140 ARG D 4 4 VAL B Protein S 2 FT #SUB 140 140 ARG D 5 5 ALA B Protein S 7 FT #SUB 141 141 SER D 60 60 VAL B Protein S 1 FT #SUB 155 155 GLY D 58 58 ASP B Protein B 5 FT #SUB 156 156 TYR D 27 27 GLY B Protein S 2 FT #SUB 156 156 TYR D 79 79 ARG B Protein B 6 FT #SUB 157 157 GLY D 79 79 ARG B Protein B 7 FT #SUB 149 149 TRP D 20 20 LYS C Protein B 2 FT #SUB 151 151 SER D 17 17 ASP C Protein S 1 FT #SUB 161 161 ARG D 17 17 ASP C Protein S 1 FT #SUB 30 30 LYS D 96 96 ASP E Protein S 5 FT #SUB 31 31 ARG D 95 95 SER E Protein S 2 FT #SUB 31 31 ARG D 96 96 ASP E Protein S 5 FT #SUB 110 110 TYR D 44 44 THR E Protein A 4 FT #SUB 110 110 TYR D 95 95 SER E Protein S 2 FT #SUB 147 147 ASN D 46 46 THR E Protein S 1 FT #SUB 147 147 ASN D 125 125 GLN E Protein S 3 FT #SUB 165 165 ASN D 125 125 GLN E Protein S 3 FT #SUB 166 166 SER D 46 46 THR E Protein S 5 FT #SUB 166 166 SER D 93 93 SER E Protein S 1 FT #SUB 167 167 SER D 93 93 SER E Protein S 1 FT #SUB 167 167 SER D 94 94 MET E Protein S 1 FT #SUB 167 167 SER D 95 95 SER E Protein A 2 FT #SUB 167 167 SER D 97 97 GLY E Protein S 1 FT #SUB 168 168 GLY D 95 95 SER E Protein B 3 FT #SUB 169 169 HIS D 96 96 ASP E Protein S 5 FT #SUB 169 169 HIS D 97 97 GLY E Protein S 1 FT #HET 43 43 LYS D 21 204 SCN D S 5 FT #HET 53 53 ARG D 20 203 PC D S 2 FT #HET 54 54 SER D 19 202 HXG D S 3 FT #HET 83 83 ALA D 19 202 HXG D B 4 FT #HET 84 84 THR D 19 202 HXG D A 4 FT #HET 85 85 GLY D 19 202 HXG D B 4 FT #HET 87 87 VAL D 19 202 HXG D S 1 FT #HET 94 94 MET D 21 204 SCN D A 5 FT #HET 96 96 ASP D 21 204 SCN D A 6 FT #HET 97 97 GLY D 21 204 SCN D B 1 FT #HET 98 98 ASN D 21 204 SCN D A 9 FT #HET 105 105 SER D 19 202 HXG D S 1 FT #HET 107 107 PRO D 19 202 HXG D A 5 FT #HET 108 108 TYR D 19 202 HXG D A 3 FT #HET 112 112 TRP D 18 201 HXG D A 24 FT #HET 113 113 TYR D 18 201 HXG D A 18 FT #HET 113 113 TYR D 19 202 HXG D S 8 FT #HET 114 114 SER D 18 201 HXG D B 1 FT #HET 116 116 TRP D 18 201 HXG D S 20 FT #HET 133 133 TYR D 19 202 HXG D S 4 FT #HET 133 133 TYR D 20 203 PC D S 6 FT #HET 134 134 GLU D 20 203 PC D S 5 FT #HET 137 137 TYR D 18 201 HXG D A 24 FT #HET 137 137 TYR D 19 202 HXG D S 4 FT #HET 138 138 TYR D 18 201 HXG D S 4 FT #HET 138 138 TYR D 19 202 HXG D S 1 FT #HET 138 138 TYR D 20 203 PC D S 11 FT #HET 142 142 PRO D 18 201 HXG D S 3 FT #HET 156 156 TYR D 21 204 SCN D S 1 FT DISORDER 1 1 CC SEQUENCE 178 AA (ATOM); CC ADVAGAVIDG AGLGFDVLKT VLEALGNVKR KIAVGIDNES GKTWTAMNTY FRSGTSDIVL CC PHKVAHGKAL LYNGQKNRGP VATGVVGVIA YSMSDGNTLA VLFSVPYDYN WYSNWWNVRV CC YKGQKRADQR MYEELYYHRS PFRGDNGWHS RGLGYGLKSR GFMNSSGHAI LEIHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM -ADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT 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 4TSQE STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSQ DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.133 FT #SUB 3 3 ASP E 143 143 PHE A Protein S 1 FT #SUB 3 3 ASP E 150 150 HIS A Protein S 8 FT #SUB 3 3 ASP E 151 151 SER A Protein S 6 FT #SUB 21 21 THR E 123 123 LYS A Protein S 1 FT #SUB 24 24 GLU E 123 123 LYS A Protein S 1 FT #SUB 25 25 ALA E 156 156 TYR A Protein A 9 FT #SUB 53 53 ARG E 111 111 ASN C Protein B 3 FT #SUB 54 54 SER E 111 111 ASN C Protein B 6 FT #SUB 55 55 GLY E 111 111 ASN C Protein B 5 FT #SUB 56 56 THR E 30 30 LYS C Protein S 3 FT #SUB 58 58 ASP E 30 30 LYS C Protein S 2 FT #SUB 78 78 ASN E 109 109 ASP C Protein S 6 FT #SUB 78 78 ASN E 111 111 ASN C Protein S 3 FT #SUB 79 79 ARG E 81 81 PRO C Protein S 6 FT #SUB 79 79 ARG E 83 83 ALA C Protein S 1 FT #SUB 84 84 THR E 112 112 TRP C Protein S 1 FT #SUB 44 44 THR E 110 110 TYR D Protein S 4 FT #SUB 46 46 THR E 147 147 ASN D Protein S 1 FT #SUB 46 46 THR E 166 166 SER D Protein S 5 FT #SUB 93 93 SER E 166 166 SER D Protein S 1 FT #SUB 93 93 SER E 167 167 SER D Protein S 1 FT #SUB 94 94 MET E 167 167 SER D Protein B 1 FT #SUB 95 95 SER E 31 31 ARG D Protein B 2 FT #SUB 95 95 SER E 110 110 TYR D Protein S 2 FT #SUB 95 95 SER E 167 167 SER D Protein B 2 FT #SUB 95 95 SER E 168 168 GLY D Protein B 3 FT #SUB 96 96 ASP E 30 30 LYS D Protein S 5 FT #SUB 96 96 ASP E 31 31 ARG D Protein A 5 FT #SUB 96 96 ASP E 169 169 HIS D Protein B 5 FT #SUB 97 97 GLY E 167 167 SER D Protein B 1 FT #SUB 97 97 GLY E 169 169 HIS D Protein B 1 FT #SUB 125 125 GLN E 147 147 ASN D Protein S 3 FT #SUB 125 125 GLN E 165 165 ASN D Protein S 3 FT #HET 7 7 ALA E 5 205 HXG A S 1 FT #HET 9 9 ILE E 5 205 HXG A S 2 FT #HET 17 17 ASP E 5 205 HXG A S 4 FT #HET 18 18 VAL E 5 205 HXG A A 5 FT #HET 21 21 THR E 5 205 HXG A S 5 FT #HET 22 22 VAL E 5 205 HXG A A 3 FT #HET 25 25 ALA E 5 205 HXG A S 1 FT #HET 43 43 LYS E 26 205 SCN E S 5 FT #HET 53 53 ARG E 23 202 HXG E S 1 FT #HET 53 53 ARG E 25 204 PC E S 5 FT #HET 53 53 ARG E 27 206 CL E S 1 FT #HET 54 54 SER E 23 202 HXG E S 5 FT #HET 59 59 ILE E 5 205 HXG A S 2 FT #HET 72 72 LEU E 5 205 HXG A A 4 FT #HET 83 83 ALA E 23 202 HXG E B 4 FT #HET 84 84 THR E 23 202 HXG E A 4 FT #HET 85 85 GLY E 23 202 HXG E B 4 FT #HET 87 87 VAL E 23 202 HXG E S 1 FT #HET 94 94 MET E 26 205 SCN E A 6 FT #HET 96 96 ASP E 26 205 SCN E A 6 FT #HET 97 97 GLY E 26 205 SCN E B 1 FT #HET 98 98 ASN E 26 205 SCN E A 8 FT #HET 105 105 SER E 23 202 HXG E S 1 FT #HET 107 107 PRO E 23 202 HXG E A 4 FT #HET 108 108 TYR E 23 202 HXG E A 3 FT #HET 111 111 ASN E 24 203 PC E B 5 FT #HET 112 112 TRP E 22 201 HXG E A 6 FT #HET 112 112 TRP E 24 203 PC E B 5 FT #HET 113 113 TYR E 22 201 HXG E S 5 FT #HET 113 113 TYR E 23 202 HXG E S 11 FT #HET 113 113 TYR E 24 203 PC E B 1 FT #HET 114 114 SER E 24 203 PC E A 6 FT #HET 116 116 TRP E 22 201 HXG E S 8 FT #HET 130 130 GLN E 25 204 PC E S 1 FT #HET 133 133 TYR E 23 202 HXG E S 4 FT #HET 133 133 TYR E 25 204 PC E S 5 FT #HET 134 134 GLU E 25 204 PC E S 3 FT #HET 137 137 TYR E 22 201 HXG E A 14 FT #HET 137 137 TYR E 23 202 HXG E S 3 FT #HET 138 138 TYR E 22 201 HXG E S 2 FT #HET 138 138 TYR E 23 202 HXG E S 1 FT #HET 138 138 TYR E 25 204 PC E S 12 FT #HET 142 142 PRO E 22 201 HXG E S 1 FT #HET 144 144 ARG E 24 203 PC E S 5 FT #HET 156 156 TYR E 26 205 SCN E S 1 FT DISORDER 1 1 CC SEQUENCE 178 AA (ATOM); CC ADVAGAVIDG AGLGFDVLKT VLEALGNVKR KIAVGIDNES GKTWTAMNTY FRSGTSDIVL CC PHKVAHGKAL LYNGQKNRGP VATGVVGVIA YSMSDGNTLA VLFSVPYDYN WYSNWWNVRV CC YKGQKRADQR MYEELYYHRS PFRGDNGWHS RGLGYGLKSR GFMNSSGHAI LEIHVTKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT CC ATOM -ADVAGAVIDGAGLGFDVLKTVLEALGNVKRKIAVGIDNESGKTWTAMNT 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 4TSQF STANDARD; PRT; 179 AA. DT CONVERTED FROM PDB (SEQRES) 4TSQ DE Fragaceatoxin C OS Actinia fragacea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.133 FT #SUB 95 95 SER F 12 12 ALA A Protein B 1 FT #SUB 96 96 ASP F 12 12 ALA A Protein B 1 FT #SUB 97 97 GLY F 12 12 ALA A Protein B 3 FT #SUB 125 125 GLN F 13 13 GLY A Protein S 1 FT #SUB 125 125 GLN F 17 17 ASP A Protein B 1 FT #SUB 131 131 ARG F 131 131 ARG B Protein S 1 FT #SUB 96 96 ASP F 79 79 ARG C Protein S 2 FT #SUB 153 153 GLY F 60 60 VAL C Protein B 2 FT #SUB 154 154 LEU F 60 60 VAL C Protein B 1 FT #SUB 155 155 GLY F 58 58 ASP C Protein B 2 FT #SUB 155 155 GLY F 60 60 VAL C Protein B 2 FT #SUB 156 156 TYR F 58 58 ASP C Protein A 13 FT #SUB 157 157 GLY F 57 57 SER C Protein B 1 FT #HET 16 16 PHE F 31 204 SCN F B 1 FT #HET 17 17 ASP F 31 204 SCN F A 12 FT #HET 53 53 ARG F 30 203 PC F S 11 FT #HET 54 54 SER F 29 202 PC F S 2 FT #HET 84 84 THR F 29 202 PC F A 2 FT #HET 85 85 GLY F 29 202 PC F B 3 FT #HET 87 87 VAL F 29 202 PC F S 1 FT #HET 105 105 SER F 29 202 PC F S 1 FT #HET 107 107 PRO F 29 202 PC F A 7 FT #HET 108 108 TYR F 29 202 PC F A 3 FT #HET 112 112 TRP F 28 201 HXG F A 4 FT #HET 113 113 TYR F 28 201 HXG F A 8 FT #HET 113 113 TYR F 29 202 PC F S 9 FT #HET 113 113 TYR F 30 203 PC F S 4 FT #HET 114 114 SER F 28 201 HXG F B 1 FT #HET 116 116 TRP F 28 201 HXG F S 13 FT #HET 130 130 GLN F 30 203 PC F S 1 FT #HET 133 133 TYR F 29 202 PC F S 4 FT #HET 133 133 TYR F 30 203 PC F S 6 FT #HET 137 137 TYR F 28 201 HXG F A 12 FT #HET 137 137 TYR F 29 202 PC F S 6 FT #HET 138 138 TYR F 28 201 HXG F S 2 FT #HET 138 138 TYR F 29 202 PC F S 1 FT #HET 138 138 TYR F 30 203 PC F S 6 FT #HET 142 142 PRO F 28 201 HXG F S 2 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 //