ID 3FIIA STANDARD; PRT; 427 AA. DT CONVERTED FROM PDB (SEQRES) 3FII DE BOTULINUM NEUROTOXIN TYPE F OS Clostridium botulinum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.170 CC R-Factor 0.246 FT #SUB 16 16 ASP A 6 32 LEU B Protein B 1 FT #SUB 17 17 ASP A 6 32 LEU B Protein B 1 FT #SUB 26 26 TYR A 19 45 ILE B Protein S 4 FT #SUB 28 28 GLU A 13 39 VAL B Protein S 2 FT #SUB 29 29 LYS A 14 40 ASP B Protein S 6 FT #SUB 29 29 LYS A 18 44 ASP B Protein S 1 FT #SUB 33 33 TYR A 12 38 GLN B Protein S 1 FT #SUB 38 38 GLU A 6 32 LEU B Protein S 1 FT #SUB 44 44 TRP A 6 32 LEU B Protein S 1 FT #SUB 52 52 ILE A 28 54 LEU B Protein B 1 FT #SUB 53 53 GLY A 19 45 ILE B Protein B 1 FT #SUB 53 53 GLY A 24 50 VAL B Protein B 1 FT #SUB 53 53 GLY A 28 54 LEU B Protein B 1 FT #SUB 131 131 VAL A 9 35 THR B Protein S 2 FT #SUB 131 131 VAL A 11 37 ALA B Protein S 3 FT #SUB 131 131 VAL A 12 38 GLN B Protein S 2 FT #SUB 132 132 THR A 13 39 VAL B Protein B 3 FT #SUB 132 132 THR A 15 41 GLU B Protein A 5 FT #SUB 133 133 ARG A 13 39 VAL B Protein B 2 FT #SUB 133 133 ARG A 15 41 GLU B Protein A 12 FT #SUB 133 133 ARG A 17 43 VAL B Protein S 3 FT #SUB 133 133 ARG A 18 44 ASP B Protein S 1 FT #SUB 136 136 SER A 13 39 VAL B Protein S 1 FT #SUB 138 138 ASN A 12 38 GLN B Protein S 6 FT #SUB 138 138 ASN A 13 39 VAL B Protein S 11 FT #SUB 145 145 VAL A 10 36 GLN B Protein S 1 FT #SUB 146 146 LYS A 10 36 GLN B Protein B 1 FT #SUB 146 146 LYS A 12 38 GLN B Protein A 5 FT #SUB 147 147 SER A 8 34 GLN B Protein S 7 FT #SUB 147 147 SER A 9 35 THR B Protein A 5 FT #SUB 147 147 SER A 10 36 GLN B Protein A 6 FT #SUB 147 147 SER A 11 37 ALA B Protein B 1 FT #SUB 147 147 SER A 12 38 GLN B Protein B 4 FT #SUB 148 148 SER A 8 34 GLN B Protein B 4 FT #SUB 148 148 SER A 9 35 THR B Protein A 11 FT #SUB 148 148 SER A 11 37 ALA B Protein A 3 FT #SUB 148 148 SER A 13 39 VAL B Protein S 2 FT #SUB 149 149 ILE A 7 33 GLN B Protein B 1 FT #SUB 149 149 ILE A 8 34 GLN B Protein S 1 FT #SUB 150 150 ILE A 7 33 GLN B Protein B 1 FT #SUB 164 164 GLU A 30 56 ARG B Protein S 9 FT #SUB 164 164 GLU A 32 58 00C B Protein S 1 FT #SUB 164 164 GLU A 33 59 NH2 B Protein S 3 FT #SUB 165 165 ASN A 32 58 00C B Protein B 2 FT #SUB 165 165 ASN A 33 59 NH2 B Protein B 2 FT #SUB 166 166 SER A 30 56 ARG B Protein S 2 FT #SUB 166 166 SER A 31 57 ASP B Protein A 3 FT #SUB 166 166 SER A 33 59 NH2 B Protein A 2 FT #SUB 167 167 SER A 31 57 ASP B Protein B 7 FT #SUB 168 168 TYR A 27 53 VAL B Protein S 2 FT #SUB 168 168 TYR A 28 54 LEU B Protein S 1 FT #SUB 168 168 TYR A 29 55 GLU B Protein S 2 FT #SUB 168 168 TYR A 30 56 ARG B Protein S 5 FT #SUB 171 171 ARG A 26 52 LYS B Protein S 5 FT #SUB 171 171 ARG A 27 53 VAL B Protein S 4 FT #SUB 171 171 ARG A 29 55 GLU B Protein S 7 FT #SUB 173 173 LEU A 17 43 VAL B Protein A 4 FT #SUB 173 173 LEU A 18 44 ASP B Protein S 3 FT #SUB 173 173 LEU A 19 45 ILE B Protein S 2 FT #SUB 173 173 LEU A 23 49 ASN B Protein S 2 FT #SUB 173 173 LEU A 27 53 VAL B Protein S 1 FT #SUB 174 174 MET A 17 43 VAL B Protein B 3 FT #SUB 175 175 ASP A 17 43 VAL B Protein A 2 FT #SUB 177 177 GLY A 23 49 ASN B Protein B 2 FT #SUB 179 179 VAL A 23 49 ASN B Protein S 1 FT #SUB 179 179 VAL A 26 52 LYS B Protein S 2 FT #SUB 227 227 HIS A 32 58 00C B Protein S 5 FT #SUB 228 228 GLU A 32 58 00C B Protein S 3 FT #SUB 231 231 HIS A 31 57 ASP B Protein S 11 FT #SUB 231 231 HIS A 32 58 00C B Protein S 1 FT #SUB 240 240 ARG A 31 57 ASP B Protein S 5 FT #SUB 244 244 TYR A 29 55 GLU B Protein S 5 FT #SUB 244 244 TYR A 30 56 ARG B Protein S 6 FT #SUB 244 244 TYR A 31 57 ASP B Protein S 2 FT #SUB 263 263 ARG A 30 56 ARG B Protein S 2 FT #SUB 263 263 ARG A 31 57 ASP B Protein S 1 FT #SUB 265 265 GLU A 31 57 ASP B Protein S 2 FT #SUB 266 266 GLU A 31 57 ASP B Protein S 2 FT #SUB 266 266 GLU A 32 58 00C B Protein S 6 FT #SUB 308 308 PRO A 9 35 THR B Protein S 2 FT #SUB 310 310 GLU A 7 33 GLN B Protein B 4 FT #SUB 310 310 GLU A 8 34 GLN B Protein S 4 FT #SUB 310 310 GLU A 9 35 THR B Protein S 5 FT #SUB 311 311 TYR A 7 33 GLN B Protein A 17 FT #SUB 311 311 TYR A 9 35 THR B Protein S 3 FT #SUB 316 316 TYR A 7 33 GLN B Protein S 7 FT #SUB 368 368 TYR A 32 58 00C B Protein S 5 FT #HET 227 227 HIS A 1 822 ZN A S 3 FT #HET 231 231 HIS A 1 822 ZN A S 3 FT #HET 266 266 GLU A 1 822 ZN A S 3 FT DISORDER 1 1 FT DISORDER 206 213 FT DISORDER 413 427 CC SEQUENCE 403 AA (ATOM); CC PVVINSFNYN DPVNDDTILY MQIPYEEKSK KYYKAFEIMR NVWIIPERNT IGTDPSDFDP CC PASLENGSSA YYDPNYLTTD AEKDRYLKTT IKLFKRINSN PAGEVLLQEI SYAKPYLGNE CC HTPINEFHPV TRTTSVNIKS STNVKSSIIL NLLVLGAGPD IFENSSYPVR KLMDSGGVYD CC PSNDGFGSIN IVTFSPEYEY TFNDTESFIA DPAISLAHEL IHALHGLYGA RGVTYKETIK CC VKQAPLMIAE KPIRLEEFLT FGGQDLNIIT SAMKEKIYNN LLANYEKIAT RLSRVNSAPP CC EYDINEYKDY FQWKYGLDKN ADGSYTVNEN KFNEIYKKLY SFTEIDLANK FKVKCRNTYF CC IKYGFLKVPN LLDDDIYTVS EGFNIGNLAV NNRGQNIKLN PKI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPVVINSFNYNDPVNDDTILYMQIPYEEKSKKYYKAFEIMRNVWIIPERN CC ATOM -PVVINSFNYNDPVNDDTILYMQIPYEEKSKKYYKAFEIMRNVWIIPERN CC ************************************************* CC SEQRES TIGTDPSDFDPPASLENGSSAYYDPNYLTTDAEKDRYLKTTIKLFKRINS CC ATOM TIGTDPSDFDPPASLENGSSAYYDPNYLTTDAEKDRYLKTTIKLFKRINS CC ************************************************** CC SEQRES NPAGEVLLQEISYAKPYLGNEHTPINEFHPVTRTTSVNIKSSTNVKSSII CC ATOM NPAGEVLLQEISYAKPYLGNEHTPINEFHPVTRTTSVNIKSSTNVKSSII CC ************************************************** CC SEQRES LNLLVLGAGPDIFENSSYPVRKLMDSGGVYDPSNDGFGSINIVTFSPEYE CC ATOM LNLLVLGAGPDIFENSSYPVRKLMDSGGVYDPSNDGFGSINIVTFSPEYE CC ************************************************** CC SEQRES YTFNDISGGYNSSTESFIADPAISLAHELIHALHGLYGARGVTYKETIKV CC ATOM YTFND--------TESFIADPAISLAHELIHALHGLYGARGVTYKETIKV CC ***** ************************************* CC SEQRES KQAPLMIAEKPIRLEEFLTFGGQDLNIITSAMKEKIYNNLLANYEKIATR CC ATOM KQAPLMIAEKPIRLEEFLTFGGQDLNIITSAMKEKIYNNLLANYEKIATR CC ************************************************** CC SEQRES LSRVNSAPPEYDINEYKDYFQWKYGLDKNADGSYTVNENKFNEIYKKLYS CC ATOM LSRVNSAPPEYDINEYKDYFQWKYGLDKNADGSYTVNENKFNEIYKKLYS CC ************************************************** CC SEQRES FTEIDLANKFKVKCRNTYFIKYGFLKVPNLLDDDIYTVSEGFNIGNLAVN CC ATOM FTEIDLANKFKVKCRNTYFIKYGFLKVPNLLDDDIYTVSEGFNIGNLAVN CC ************************************************** CC SEQRES NRGQNIKLNPKIIDSIPDKLEHHHHHH CC ATOM NRGQNIKLNPKI--------------- CC ************ SQ SEQUENCE 427 AA; MW; CN; MPVVINSFNY NDPVNDDTIL YMQIPYEEKS KKYYKAFEIM RNVWIIPERN TIGTDPSDFD PPASLENGSS AYYDPNYLTT DAEKDRYLKT TIKLFKRINS NPAGEVLLQE ISYAKPYLGN EHTPINEFHP VTRTTSVNIK SSTNVKSSII LNLLVLGAGP DIFENSSYPV RKLMDSGGVY DPSNDGFGSI NIVTFSPEYE YTFNDISGGY NSSTESFIAD PAISLAHELI HALHGLYGAR GVTYKETIKV KQAPLMIAEK PIRLEEFLTF GGQDLNIITS AMKEKIYNNL LANYEKIATR LSRVNSAPPE YDINEYKDYF QWKYGLDKNA DGSYTVNENK FNEIYKKLYS FTEIDLANKF KVKCRNTYFI KYGFLKVPNL LDDDIYTVSE GFNIGNLAVN NRGQNIKLNP KIIDSIPDKL EHHHHHH // ID 3FIIB STANDARD; PRT; 33 AA. DT CONVERTED FROM PDB (SEQRES) 3FII DE fragment of Vesicle-associated membrane protein 2 OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.170 CC R-Factor 0.246 FT #SUB 6 32 LEU B 16 16 ASP A Protein S 1 FT #SUB 6 32 LEU B 17 17 ASP A Protein S 1 FT #SUB 6 32 LEU B 38 38 GLU A Protein S 1 FT #SUB 6 32 LEU B 44 44 TRP A Protein S 1 FT #SUB 7 33 GLN B 149 149 ILE A Protein B 1 FT #SUB 7 33 GLN B 150 150 ILE A Protein B 1 FT #SUB 7 33 GLN B 310 310 GLU A Protein S 4 FT #SUB 7 33 GLN B 311 311 TYR A Protein A 17 FT #SUB 7 33 GLN B 316 316 TYR A Protein S 7 FT #SUB 8 34 GLN B 147 147 SER A Protein S 7 FT #SUB 8 34 GLN B 148 148 SER A Protein A 4 FT #SUB 8 34 GLN B 149 149 ILE A Protein S 1 FT #SUB 8 34 GLN B 310 310 GLU A Protein B 4 FT #SUB 9 35 THR B 131 131 VAL A Protein S 2 FT #SUB 9 35 THR B 147 147 SER A Protein B 5 FT #SUB 9 35 THR B 148 148 SER A Protein A 11 FT #SUB 9 35 THR B 308 308 PRO A Protein S 2 FT #SUB 9 35 THR B 310 310 GLU A Protein A 5 FT #SUB 9 35 THR B 311 311 TYR A Protein S 3 FT #SUB 10 36 GLN B 145 145 VAL A Protein S 1 FT #SUB 10 36 GLN B 146 146 LYS A Protein B 1 FT #SUB 10 36 GLN B 147 147 SER A Protein A 6 FT #SUB 11 37 ALA B 131 131 VAL A Protein A 3 FT #SUB 11 37 ALA B 147 147 SER A Protein B 1 FT #SUB 11 37 ALA B 148 148 SER A Protein B 3 FT #SUB 12 38 GLN B 33 33 TYR A Protein S 1 FT #SUB 12 38 GLN B 131 131 VAL A Protein B 2 FT #SUB 12 38 GLN B 138 138 ASN A Protein A 6 FT #SUB 12 38 GLN B 146 146 LYS A Protein S 5 FT #SUB 12 38 GLN B 147 147 SER A Protein S 4 FT #SUB 13 39 VAL B 28 28 GLU A Protein B 2 FT #SUB 13 39 VAL B 132 132 THR A Protein S 3 FT #SUB 13 39 VAL B 133 133 ARG A Protein S 2 FT #SUB 13 39 VAL B 136 136 SER A Protein S 1 FT #SUB 13 39 VAL B 138 138 ASN A Protein A 11 FT #SUB 13 39 VAL B 148 148 SER A Protein A 2 FT #SUB 14 40 ASP B 29 29 LYS A Protein A 6 FT #SUB 15 41 GLU B 132 132 THR A Protein S 5 FT #SUB 15 41 GLU B 133 133 ARG A Protein S 12 FT #SUB 17 43 VAL B 133 133 ARG A Protein B 3 FT #SUB 17 43 VAL B 173 173 LEU A Protein S 4 FT #SUB 17 43 VAL B 174 174 MET A Protein S 3 FT #SUB 17 43 VAL B 175 175 ASP A Protein S 2 FT #SUB 18 44 ASP B 29 29 LYS A Protein S 1 FT #SUB 18 44 ASP B 133 133 ARG A Protein S 1 FT #SUB 18 44 ASP B 173 173 LEU A Protein B 3 FT #SUB 19 45 ILE B 26 26 TYR A Protein S 4 FT #SUB 19 45 ILE B 53 53 GLY A Protein S 1 FT #SUB 19 45 ILE B 173 173 LEU A Protein B 2 FT #SUB 23 49 ASN B 173 173 LEU A Protein S 2 FT #SUB 23 49 ASN B 177 177 GLY A Protein A 2 FT #SUB 23 49 ASN B 179 179 VAL A Protein S 1 FT #SUB 24 50 VAL B 53 53 GLY A Protein S 1 FT #SUB 26 52 LYS B 171 171 ARG A Protein B 5 FT #SUB 26 52 LYS B 179 179 VAL A Protein S 2 FT #SUB 27 53 VAL B 168 168 TYR A Protein B 2 FT #SUB 27 53 VAL B 171 171 ARG A Protein B 4 FT #SUB 27 53 VAL B 173 173 LEU A Protein S 1 FT #SUB 28 54 LEU B 52 52 ILE A Protein S 1 FT #SUB 28 54 LEU B 53 53 GLY A Protein S 1 FT #SUB 28 54 LEU B 168 168 TYR A Protein S 1 FT #SUB 29 55 GLU B 168 168 TYR A Protein B 2 FT #SUB 29 55 GLU B 171 171 ARG A Protein A 7 FT #SUB 29 55 GLU B 244 244 TYR A Protein S 5 FT #SUB 30 56 ARG B 164 164 GLU A Protein S 9 FT #SUB 30 56 ARG B 166 166 SER A Protein S 2 FT #SUB 30 56 ARG B 168 168 TYR A Protein A 5 FT #SUB 30 56 ARG B 244 244 TYR A Protein B 6 FT #SUB 30 56 ARG B 263 263 ARG A Protein B 2 FT #SUB 31 57 ASP B 166 166 SER A Protein B 3 FT #SUB 31 57 ASP B 167 167 SER A Protein A 7 FT #SUB 31 57 ASP B 231 231 HIS A Protein S 11 FT #SUB 31 57 ASP B 240 240 ARG A Protein S 5 FT #SUB 31 57 ASP B 244 244 TYR A Protein S 2 FT #SUB 31 57 ASP B 263 263 ARG A Protein S 1 FT #SUB 31 57 ASP B 265 265 GLU A Protein S 2 FT #SUB 31 57 ASP B 266 266 GLU A Protein B 2 FT #SUB 32 58 00C B 164 164 GLU A Protein B 1 FT #SUB 32 58 00C B 165 165 ASN A Protein B 2 FT #SUB 32 58 00C B 227 227 HIS A Protein S 5 FT #SUB 32 58 00C B 228 228 GLU A Protein S 3 FT #SUB 32 58 00C B 231 231 HIS A Protein S 1 FT #SUB 32 58 00C B 266 266 GLU A Protein A 6 FT #SUB 32 58 00C B 368 368 TYR A Protein S 5 FT #SUB 33 59 NH2 B 164 164 GLU A Protein B 3 FT #SUB 33 59 NH2 B 165 165 ASN A Protein B 2 FT #SUB 33 59 NH2 B 166 166 SER A Protein B 2 FT #HET 32 58 00C B 1 822 ZN A A 5 FT DISORDER 1 5 CC SEQUENCE 28 AA (ATOM); CC LQQTQAQVDE VVDIMRVNVD KVLERDXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TSNRRLQQTQAQVDEVVDIMRVNVDKVLERDXX CC ATOM -----LQQTQAQVDEVVDIMRVNVDKVLERDXX CC **************************** SQ SEQUENCE 33 AA; MW; CN; TSNRRLQQTQ AQVDEVVDIM RVNVDKVLER DXX //