Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T30082 | Target Info | |||
| Target Name | Acetylcholinesterase (AChE) | ||||
| Synonyms | YT; N-ACHE; ARACHE | ||||
| Target Type | Successful Target | ||||
| Gene Name | ACHE | ||||
| Biochemical Class | Carboxylic ester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate | Ligand Info | |||
| PubChem Substance ID | 406169230 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6NTL Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [1] |
| PDB Sequence |
REDAELLVTV
12 RGGRLRGIRL22 KTPGGPVSAF32 LGIPFAEPPM42 GPRRFLPPEP52 KQPWSGVVDA 62 TTFQSVCYQY72 VDTLYPGFEG82 TEMWNPNREL92 SEDCLYLNVW102 TPYPRPTSPT 112 PVLVWIYGGG122 FYSGASSLDV132 YDGRFLVQAE142 RTVLVSMNYR152 VGAFGFLALP 162 GSREAPGNVG172 LLDQRLALQW182 VQENVAAFGG192 DPTSVTLFGE202 SAGAASVGMH 212 LLSPPSRGLF222 HRAVLQSGAP232 NGPWATVGMG242 EARRRATQLA252 HLVGCPPGGN 265 DTELVACLRT275 RPAQVLVNHE285 WHVLPQESVF295 RFSFVPVVDG305 DFLSDTPEAL 315 INAGDFHGLQ325 VLVGVVKDEG335 SYFLVYGAPG345 FSKDNESLIS355 RAEFLAGVRV 365 GVPQVSDLAA375 EAVVLHYTDW385 LHPEDPARLR395 EALSDVVGDH405 NVVCPVAQLA 415 GRLAAQGARV425 YAYVFEHRAS435 TLSWPLWMGV445 PHGYEIEFIF455 GIPLDPSRNY 465 TAEEKIFAQR475 LMRYWANFAR485 TGDPNEPPQW500 PPYTAGAQQY510 VSLDLRPLEV 520 RRGLRAQACA530 FWNRFLPKLL540 SA
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| PDB ID: 6NTG Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 in Complex with Reactivator, HI-6 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [2] |
| PDB Sequence |
EDAELLVTVR
13 GGRLRGIRLK23 TPGGPVSAFL33 GIPFAEPPMG43 PRRFLPPEPK53 QPWSGVVDAT 63 TFQSVCYQYV73 DTLYPGFEGT83 EMWNPNRELS93 EDCLYLNVWT103 PYPRPTSPTP 113 VLVWIYGGGF123 YSGASSLDVY133 DGRFLVQAER143 TVLVSMNYRV153 GAFGFLALPG 163 SREAPGNVGL173 LDQRLALQWV183 QENVAAFGGD193 PTSVTLFGES203 AGAASVGMHL 213 LSPPSRGLFH223 RAVLQSGAPN233 GPWATVGMGE243 ARRRATQLAH253 LVGCPGNDTE 268 LVACLRTRPA278 QVLVNHEWHV288 LPQESVFRFS298 FVPVVDGDFL308 SDTPEALINA 318 GDFHGLQVLV328 GVVKDEGSYF338 LVYGAPGFSK348 DNESLISRAE358 FLAGVRVGVP 368 QVSDLAAEAV378 VLHYTDWLHP388 EDPARLREAL398 SDVVGDHNVV408 CPVAQLAGRL 418 AAQGARVYAY428 VFEHRASTLS438 WPLWMGVPHG448 YEIEFIFGIP458 LDPSRNYTAE 468 EKIFAQRLMR478 YWANFARTGD488 PNEPAPQWPP502 YTAGAQQYVS512 LDLRPLEVRR 522 GLRAQACAFW532 NRFLPKLLSA542
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents | ||||
| REF 2 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents | ||||
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