ID 1FV3A STANDARD; PRT; 472 AA. DT CONVERTED FROM PDB (SEQRES) 1FV3 DE TETANUS TOXIN HEAVY CHAIN OS Clostridium tetani CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.239 FT #HET 376 1219 ASN A 1 1 BGC C S 1 FT #HET 376 1219 ASN A 2 2 GAL C S 6 FT #HET 378 1221 LEU A 3 3 NGA C S 1 FT #HET 379 1222 ASP A 3 3 NGA C S 7 FT #HET 379 1222 ASP A 4 4 GAL C S 6 FT #HET 427 1270 THR A 4 4 GAL C B 7 FT #HET 428 1271 HIS A 3 3 NGA C S 7 FT #HET 428 1271 HIS A 4 4 GAL C A 20 FT #HET 442 1285 ILE A 4 4 GAL C S 2 FT #HET 446 1289 TRP A 3 3 NGA C S 5 FT #HET 446 1289 TRP A 4 4 GAL C S 2 FT #HET 446 1289 TRP A 5 5 SIA C S 1 FT #HET 447 1290 TYR A 4 4 GAL C S 2 FT DISORDER 1 21 CC SEQUENCE 451 AA (ATOM); CC KNLDCWVDNE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH CC LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS HLEQYGTNEY SIISSMKKHS CC LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI TFRDLPDKFN AYLANKWVFI TITNDRLSSA CC NLYINGVLMG SAEITGLGAI REDNNITLKL DRCNNNNQYV SIDKFRIFCK ALNPKEIEKL CC YTSYLSITFL RDFWGNPLRY DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI CC YYRRLYNGLK FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD GNAFNNLDRI CC LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS LGLVGTHNGQ IGNDPNRDIL CC IASNWYFNHL KDKILGCDWY FVPTDEGWTN D CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMKNLDCWVDNEEDIDVILKKSTILNLDINN CC ATOM ---------------------KNLDCWVDNEEDIDVILKKSTILNLDINN CC ***************************** CC SEQRES DIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEY CC ATOM DIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEY CC ************************************************** CC SEQRES NDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSV CC ATOM NDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSV CC ************************************************** CC SEQRES SLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSS CC ATOM SLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSS CC ************************************************** CC SEQRES ANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFC CC ATOM ANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFC CC ************************************************** CC SEQRES KALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLK CC ATOM KALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLK CC ************************************************** CC SEQRES NITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSG CC ATOM NITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSG CC ************************************************** CC SEQRES DFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAV CC ATOM DFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAV CC ************************************************** CC SEQRES KLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNH CC ATOM KLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNH CC ************************************************** CC SEQRES LKDKILGCDWYFVPTDEGWTND CC ATOM LKDKILGCDWYFVPTDEGWTND CC ********************** SQ SEQUENCE 472 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MKNLDCWVDN EEDIDVILKK STILNLDINN DIISDISGFN SSVITYPDAQ LVPGINGKAI HLVNNESSEV IVHKAMDIEY NDMFNNFTVS FWLRVPKVSA SHLEQYGTNE YSIISSMKKH SLSIGSGWSV SLKGNNLIWT LKDSAGEVRQ ITFRDLPDKF NAYLANKWVF ITITNDRLSS ANLYINGVLM GSAEITGLGA IREDNNITLK LDRCNNNNQY VSIDKFRIFC KALNPKEIEK LYTSYLSITF LRDFWGNPLR YDTEYYLIPV ASSSKDVQLK NITDYMYLTN APSYTNGKLN IYYRRLYNGL KFIIKRYTPN NEIDSFVKSG DFIKLYVSYN NNEHIVGYPK DGNAFNNLDR ILRVGYNAPG IPLYKKMEAV KLRDLKTYSV QLKLYDDKNA SLGLVGTHNG QIGNDPNRDI LIASNWYFNH LKDKILGCDW YFVPTDEGWT ND // ID 1FV3B STANDARD; PRT; 472 AA. DT CONVERTED FROM PDB (SEQRES) 1FV3 DE TETANUS TOXIN HEAVY CHAIN OS Clostridium tetani CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.239 FT #HET 140 983 HIS B 16 301 PO4 B S 6 FT #HET 145 988 GLY B 16 301 PO4 B B 2 FT #HET 146 989 SER B 16 301 PO4 B A 6 FT #HET 164 1007 SER B 16 301 PO4 B A 8 FT #HET 222 1065 ARG B 16 301 PO4 B A 4 FT #HET 376 1219 ASN B 9 2 GAL D S 3 FT #HET 376 1219 ASN B 10 3 NGA D S 5 FT #HET 378 1221 LEU B 10 3 NGA D S 3 FT #HET 379 1222 ASP B 10 3 NGA D S 7 FT #HET 379 1222 ASP B 11 4 GAL D S 6 FT #HET 427 1270 THR B 11 4 GAL D B 3 FT #HET 428 1271 HIS B 10 3 NGA D S 4 FT #HET 428 1271 HIS B 11 4 GAL D A 18 FT #HET 442 1285 ILE B 11 4 GAL D S 1 FT #HET 444 1287 SER B 10 3 NGA D S 1 FT #HET 446 1289 TRP B 10 3 NGA D S 3 FT #HET 446 1289 TRP B 11 4 GAL D S 4 FT #HET 446 1289 TRP B 12 5 SIA D S 3 FT #HET 446 1289 TRP B 13 6 SLB D S 2 FT #HET 447 1290 TYR B 11 4 GAL D S 2 FT DISORDER 1 21 CC SEQUENCE 451 AA (ATOM); CC KNLDCWVDNE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH CC LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS HLEQYGTNEY SIISSMKKHS CC LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI TFRDLPDKFN AYLANKWVFI TITNDRLSSA CC NLYINGVLMG SAEITGLGAI REDNNITLKL DRCNNNNQYV SIDKFRIFCK ALNPKEIEKL CC YTSYLSITFL RDFWGNPLRY DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI CC YYRRLYNGLK FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD GNAFNNLDRI CC LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS LGLVGTHNGQ IGNDPNRDIL CC IASNWYFNHL KDKILGCDWY FVPTDEGWTN D CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMKNLDCWVDNEEDIDVILKKSTILNLDINN CC ATOM ---------------------KNLDCWVDNEEDIDVILKKSTILNLDINN CC ***************************** CC SEQRES DIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEY CC ATOM DIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEY CC ************************************************** CC SEQRES NDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSV CC ATOM NDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSV CC ************************************************** CC SEQRES SLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSS CC ATOM SLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSS CC ************************************************** CC SEQRES ANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFC CC ATOM ANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFC CC ************************************************** CC SEQRES KALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLK CC ATOM KALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLK CC ************************************************** CC SEQRES NITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSG CC ATOM NITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSG CC ************************************************** CC SEQRES DFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAV CC ATOM DFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAV CC ************************************************** CC SEQRES KLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNH CC ATOM KLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNH CC ************************************************** CC SEQRES LKDKILGCDWYFVPTDEGWTND CC ATOM LKDKILGCDWYFVPTDEGWTND CC ********************** SQ SEQUENCE 472 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MKNLDCWVDN EEDIDVILKK STILNLDINN DIISDISGFN SSVITYPDAQ LVPGINGKAI HLVNNESSEV IVHKAMDIEY NDMFNNFTVS FWLRVPKVSA SHLEQYGTNE YSIISSMKKH SLSIGSGWSV SLKGNNLIWT LKDSAGEVRQ ITFRDLPDKF NAYLANKWVF ITITNDRLSS ANLYINGVLM GSAEITGLGA IREDNNITLK LDRCNNNNQY VSIDKFRIFC KALNPKEIEK LYTSYLSITF LRDFWGNPLR YDTEYYLIPV ASSSKDVQLK NITDYMYLTN APSYTNGKLN IYYRRLYNGL KFIIKRYTPN NEIDSFVKSG DFIKLYVSYN NNEHIVGYPK DGNAFNNLDR ILRVGYNAPG IPLYKKMEAV KLRDLKTYSV QLKLYDDKNA SLGLVGTHNG QIGNDPNRDI LIASNWYFNH LKDKILGCDW YFVPTDEGWT ND //