eF-site ID 3v0a-A PDB Code 3v0a Chain A click to enlarge Title 2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA Classification TOXIN Compound BoNT/A Source null (3V0A) Sequence A:  MPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHN KIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLST DNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGG STIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADI IQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESL EVDTNPLLGAGKFATDPAVTLAHQLIHAGHRLYGIAINPN RVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQEN EFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEK YLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKV LNAKTFLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAAN FNGQNTEINNMNFTKLKNFTGLFEFYKLLCVRGILNDLCI KVNNWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENIS LDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIE RFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEA LLNPSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFT DETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGA LIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTI DNALSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEA LENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNE SINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASL KDALLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSK YVDNQRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYA SKINIGSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYN SMYENFSTSFWIRIPKYFNSISLNNEYTIINCMENNSGWK VSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWI FVTITNNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMF KLDGCRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSNSG ILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMY LKGPRGSVMTTNIYLNSSLYRGAKFIIKKYASGNKDNIVR NNDRVYINVVVKNKEYRLATNASQAGVEKILSALEIPDVG NLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQF NNIAKLVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERP Description (1)  BoNT/A, NTNH, Llama antibody F12 Functional site 1) chain A residue 223 type sequence H description BINDING SITE FOR RESIDUE ZN A 1297 source : AC1 2) chain A residue 227 type sequence H description BINDING SITE FOR RESIDUE ZN A 1297 source : AC1 3) chain A residue 262 type sequence E description BINDING SITE FOR RESIDUE ZN A 1297 source : AC1 4) chain A residue 575 type sequence A description BINDING SITE FOR RESIDUE CA A 1298 source : AC2 5) chain A residue 578 type sequence N description BINDING SITE FOR RESIDUE CA A 1298 source : AC2 6) chain A residue 581 type sequence R description BINDING SITE FOR RESIDUE CA A 1298 source : AC2 7) chain A residue 775 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1299 source : AC3 8) chain A residue 779 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1299 source : AC3 9) chain A residue 940 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1299 source : AC3 10) chain A residue 1077 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1299 source : AC3 11) chain A residue 1078 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1299 source : AC3 12) chain A residue 763 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1300 source : AC4 13) chain A residue 990 type sequence T description BINDING SITE FOR RESIDUE SO4 A 1300 source : AC4 14) chain A residue 1046 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1300 source : AC4 15) chain A residue 1002 type sequence S description BINDING SITE FOR RESIDUE SO4 A 1301 source : AC5 16) chain A residue 1005 type sequence I description BINDING SITE FOR RESIDUE SO4 A 1301 source : AC5 17) chain A residue 1143 type sequence V description BINDING SITE FOR RESIDUE SO4 A 1302 source : AC6 18) chain A residue 1144 type sequence M description BINDING SITE FOR RESIDUE SO4 A 1302 source : AC6 19) chain A residue 1149 type sequence Y description BINDING SITE FOR RESIDUE SO4 A 1302 source : AC6 20) chain A residue 1293 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1302 source : AC6 21) chain A residue 1294 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1302 source : AC6 22) chain A residue 621 type sequence V description BINDING SITE FOR RESIDUE SO4 A 1303 source : AC7 23) chain A residue 623 type sequence T description BINDING SITE FOR RESIDUE SO4 A 1303 source : AC7 24) chain A residue 959 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1304 source : AC8 25) chain A residue 960 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1304 source : AC8 26) chain A residue 961 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1304 source : AC8 27) chain A residue 1061 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1304 source : AC8 28) chain A residue 929 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1305 source : AC9 29) chain A residue 930 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1305 source : AC9 30) chain A residue 79 type sequence S description BINDING SITE FOR RESIDUE SO4 A 1306 source : BC1 31) chain A residue 80 type sequence T description BINDING SITE FOR RESIDUE SO4 A 1306 source : BC1 32) chain A residue 81 type sequence D description BINDING SITE FOR RESIDUE SO4 A 1306 source : BC1 33) chain A residue 169 type sequence G description BINDING SITE FOR RESIDUE SO4 A 1307 source : BC2 34) chain A residue 170 type sequence H description BINDING SITE FOR RESIDUE SO4 A 1307 source : BC2 35) chain A residue 173 type sequence L description BINDING SITE FOR RESIDUE SO4 A 1307 source : BC2 36) chain A residue 529 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1307 source : BC2 37) chain A residue 295 type sequence S description BINDING SITE FOR RESIDUE SO4 A 1308 source : BC3 38) chain A residue 298 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1308 source : BC3 39) chain A residue 416 type sequence L description BINDING SITE FOR RESIDUE SO4 A 1309 source : BC4 40) chain A residue 418 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1309 source : BC4 41) chain A residue 417 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1310 source : BC5 42) chain A residue 421 type sequence G description BINDING SITE FOR RESIDUE SO4 A 1310 source : BC5 43) chain A residue 422 type sequence L description BINDING SITE FOR RESIDUE SO4 A 1310 source : BC5 44) chain A residue 1179 type sequence R description BINDING SITE FOR RESIDUE SO4 B 1199 source : CC1 45) chain A residue 1240 type sequence Q description BINDING SITE FOR RESIDUE SO4 B 1199 source : CC1 46) chain A residue 627-647 type TRANSMEM sequence IADITIIIPYIGPALNIGNML description Helical => ECO:0000255 source Swiss-Prot : SWS_FT_FI1 47) chain A residue 656-676 type TRANSMEM sequence LIFSGAVILLEFIPEIAIPVL description Helical => ECO:0000255 source Swiss-Prot : SWS_FT_FI1 48) chain A residue 224 type ACT_SITE sequence Q description ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095 source Swiss-Prot : SWS_FT_FI2 49) chain A residue 223 type BINDING sequence H description BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0 source Swiss-Prot : SWS_FT_FI3 50) chain A residue 227 type BINDING sequence H description BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0 source Swiss-Prot : SWS_FT_FI3 51) chain A residue 262 type BINDING sequence E description BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0 source Swiss-Prot : SWS_FT_FI4

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