Acetylcholinesterase 3D structures

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Line 15: Line 15:
**[[1qo9]] – ''Dm''AChE - ''Drosophila melanogaster'' <br />
**[[1qo9]] – ''Dm''AChE - ''Drosophila melanogaster'' <br />
**[[1eea]], [[1c2b]], [[1c2o]] – AChE – Electric eel <br />
**[[1eea]], [[1c2b]], [[1c2o]] – AChE – Electric eel <br />
-
**[[5x61]] – mmAChE – malaria mosquito<br />
+
**[[5x61]], [[5ydh]], [[5ydi]] – mmAChE – malaria mosquito<br />
**[[6arx]] – mmAChE (mutant) <br />
**[[6arx]] – mmAChE (mutant) <br />
Line 23: Line 23:
**[[1vot]] AChE-Huperzine A complex, [[1vot (Chinese)]] <br />
**[[1vot]] AChE-Huperzine A complex, [[1vot (Chinese)]] <br />
-
*AChE active site inhibitors conjugating at the bottom of the active site gorge
+
*''Torpedo californica'' AChE active site inhibitors conjugating at the bottom of the active site gorge
**[[2c4h]] – ''Tc''AChE + acetylthiocholine<br />
**[[2c4h]] – ''Tc''AChE + acetylthiocholine<br />
**[[5e4t]], [[5e2i]], [[5e4t]], [[5dlp]], [[5e4j]], [[5e4t]] – ''Tc''AChE + methylene blue <br />
**[[5e4t]], [[5e2i]], [[5e4t]], [[5dlp]], [[5e4j]], [[5e4t]] – ''Tc''AChE + methylene blue <br />
-
**[[2wls]] – MosAChE + AMTS13 <br />
 
**[[2vq6]] – ''Tc''AChE + 2-PAM <br />
**[[2vq6]] – ''Tc''AChE + 2-PAM <br />
**[[2j3q]] – ''Tc''AChE + Thioflavin T <br />
**[[2j3q]] – ''Tc''AChE + Thioflavin T <br />
-
**[[2ha0]] – mAChE + ketoamyltrimethylammonium <br />
+
**[[1gpk]], [[1gpn]], [[1vot]] – ''Tc''AChE + huperzine <br />
-
**[[2h9y]] – mAChE + TMTFA <br />
+
**[[1gqr]], [[6eue]] – ''Tc''AChE + rivastigmine <br />
-
**[[3zlt]] – mAChE + RVX<br />
+
-
**[[3zlu]] – mAChE + cyclosarin<br />
+
-
**[[3zlv]] – mAChE + tabun + HI-6<br />
+
-
**[[4bc0]], [[4bc1]] – mAChE + CBDP<br />
+
-
**[[1gpk]], [[1gpn]], [[1vot]] – ''Tc''AChE + huperzine <br />
+
-
**[[4ey5]] – hAChE + huperzine<br />
+
-
**[[1gqr]] – ''Tc''AChE + rivastigmine <br />
+
**[[1gqs]] – ''Tc''AChE + NAP <br />
**[[1gqs]] – ''Tc''AChE + NAP <br />
**[[1e66]] – ''Tc''AChE + huprine <br />
**[[1e66]] – ''Tc''AChE + huprine <br />
 +
**[[6g1v]] – ''Tc''AChE + huprine derivative <br />
**[[5ehx]], [[5ei5]]– ''Tc''AChE + MSF<br />
**[[5ehx]], [[5ei5]]– ''Tc''AChE + MSF<br />
-
**[[4a16]] – mAChE + huprine <br />
+
**[[6g4m]], [[6g4n]], [[6g4o]], [[6g4p]], [[4tvk]], [[4w63]], [[4x3c]], [[6g1u]], [[6g1w]], [[6fqn]], [[6fld]], [[5nuu]] – ''Tc''AChE + tacrine derivative <br />
-
**[[1dx4]], [[1qon]] – ''Dm''AChE + tacrine derivative <br />
+
**[[1oce]] – ''Tc''AChE + MF268 <br />
**[[1oce]] – ''Tc''AChE + MF268 <br />
**[[1ax9]], [[2ack]] – ''Tc''AChE + edrophonium <br />
**[[1ax9]], [[2ack]] – ''Tc''AChE + edrophonium <br />
Line 53: Line 45:
**[[2bag]] - ''Tc''AChE + ganstigmine<br />
**[[2bag]] - ''Tc''AChE + ganstigmine<br />
**[[2xi4]] - ''Tc''AChE + aflatoxin<br />
**[[2xi4]] - ''Tc''AChE + aflatoxin<br />
 +
**[[6f25]], [[6ezg]], [[6ezh]], [[6ewk]], [[6euc]] - ''Tc''AChE + inhibitor<br />
 +
 +
*Mosquito AChE active site inhibitors conjugating at the bottom of the active site gorge
 +
 +
**[[2wls]] – mmAChE + AMTS13 <br />
 +
**[[5ydj]] – mmAChE + PMSF<br />
 +
**[[6fsd]], [[6fse]] - mmAChE + inhibitor<br />
 +
**[[6ary]] - mmAChE (mutant) + inhibitor<br />
 +
 +
*mouse AChE active site inhibitors conjugating at the bottom of the active site gorge
 +
 +
**[[2ha0]] – mAChE + ketoamyltrimethylammonium <br />
 +
**[[2h9y]] – mAChE + TMTFA <br />
 +
**[[3zlt]] – mAChE + RVX<br />
 +
**[[3zlu]] – mAChE + cyclosarin<br />
 +
**[[3zlv]] – mAChE + tabun + HI-6<br />
 +
**[[4bc0]], [[4bc1]] – mAChE + CBDP<br />
 +
**[[4a16]] – mAChE + huprine <br />
**[[4ara]], [[4arb]], [[4a23]], [[4b7z]], [[4b80]], [[4b81]], [[4b82]], [[4b83]], [[4b84]], [[4b85]], [[4btl]], [[5fum]], [[5ehn]], [[5ehq]], [[5ehz]], [[5eia]] - mAChE + inhibitor<br />
**[[4ara]], [[4arb]], [[4a23]], [[4b7z]], [[4b80]], [[4b81]], [[4b82]], [[4b83]], [[4b84]], [[4b85]], [[4btl]], [[5fum]], [[5ehn]], [[5ehq]], [[5ehz]], [[5eia]] - mAChE + inhibitor<br />
**[[2xuf]], [[2xug]], [[2xuh]], [[2xui]], [[2xuj]], [[2xuk]], [[2xuo]], [[2xup]], [[2xuq]] - mAChE (mutant) + inhibitor<br />
**[[2xuf]], [[2xug]], [[2xuh]], [[2xui]], [[2xuj]], [[2xuk]], [[2xuo]], [[2xup]], [[2xuq]] - mAChE (mutant) + inhibitor<br />
-
**[[4m0e]], [[4m0f]] - hAChE + inhibitor<br />
+
 
-
**[[6ary]] - mmAChE (mutant) + inhibitor<br />
+
*human AChE active site inhibitors conjugating at the bottom of the active site gorge
 +
 
 +
**[[4ey5]] – hAChE + huperzine<br />
 +
**[[4m0e]], [[4m0f]] - hAChE + inhibitor<br />
 +
 
 +
*''Drosophila melanogaster'' AChE active site inhibitors conjugating at the bottom of the active site gorge
 +
 
 +
**[[1dx4]], [[1qon]] – ''Dm''AChE + tacrine derivative <br />
*AChE peripheral site inhibitors conjugating at the surface of the protein
*AChE peripheral site inhibitors conjugating at the surface of the protein
Line 71: Line 88:
*AChE bis inhibitors spanning the active site gorge
*AChE bis inhibitors spanning the active site gorge
-
**[[3i6m]] – ''Tc''AChE + N-piperidinopropyl galanthamine <br />
+
**[[3i6m]], [[3i6z]], [[1w4l]], [[1w6r]], [[1w76]], [[1dx6]], [[1qti]] – ''Tc''AChE + galanthamine derivative <br />
-
**[[3i6z]] - ''Tc''AChE + saccharinohexyl galanthamine <br />
+
**[[1zgb]], [[1zgc]] – ''Tc''AChE + tacrine (10) hupyridone <br />
**[[1zgb]], [[1zgc]] – ''Tc''AChE + tacrine (10) hupyridone <br />
**[[2w6c]] – ''Tc''AChE + bis-(-)-nor-meptazinol <br />
**[[2w6c]] – ''Tc''AChE + bis-(-)-nor-meptazinol <br />
Line 79: Line 95:
**[[1ut6]] - ''Tc''AChE + N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane <br />
**[[1ut6]] - ''Tc''AChE + N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane <br />
**[[1odc]] - ''Tc''AChE + N-4-quinolyl-N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane <br />
**[[1odc]] - ''Tc''AChE + N-4-quinolyl-N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane <br />
-
**[[1w4l]], [[1w6r]], [[1w76]], [[1dx6]], [[1qti]] - TcAChE + galanthamine and derivative <br />
 
-
**[[4ey6]] - hAChE + galanthamine<br />
 
-
**[[1q83]], [[1q84]], [[5eie]], [[5eih]] - mAChE + TZ2 derivative <br />
 
-
**[[5fkj]] - mAChE + uracil derivative<br />
 
-
**[[5foq]] - mAChE + ligand<br />
 
**[[1h22]], [[1h23]] – ''Tc''AChE + bis-hupyridone <br />
**[[1h22]], [[1h23]] – ''Tc''AChE + bis-hupyridone <br />
**[[1hbj]] – ''Tc''AChE + quinoline derivativev <br />
**[[1hbj]] – ''Tc''AChE + quinoline derivativev <br />
Line 89: Line 100:
**[[1eve]] – ''Tc''AChE + e2020 <br />
**[[1eve]] – ''Tc''AChE + e2020 <br />
**[[1acl]] – ''Tc''AChE + decamethonium <br />
**[[1acl]] – ''Tc''AChE + decamethonium <br />
-
**[[2xud]] – TcAChE (mutant) + decamethonium<br />
+
**[[2xud]] – ''Tc''AChE (mutant) + decamethonium<br />
-
**[[3zv7]] - ''Tc''AChE + bisnorcymserine
+
**[[3zv7]] - ''Tc''AChE + bisnorcymserine<br />
 +
**[[4ey6]] - hAChE + galanthamine<br />
 +
**[[4ey7]], [[5nau]], [[5nap]] - hAChE + donepezil derivative<br />
 +
**[[1q83]], [[1q84]], [[5eie]], [[5eih]] - mAChE + TZ2 derivative <br />
 +
**[[5fkj]] - mAChE + uracil derivative<br />
 +
**[[5foq]] - mAChE + ligand<br />
*AChE organophosphate inhibitors causing irreversible inhibition
*AChE organophosphate inhibitors causing irreversible inhibition
 +
**[[2wfz]], [[2wg0]], [[2wg2]], [[1som]] - ''Tc''AChE + soman <br />
 +
**[[2wg1]] - ''Tc''AChE + soman + 2-PAM <br />
 +
**[[1cfj]] - ''Tc''AChE + sarin, GB <br />
 +
**[[6g17]] – ''Tc''AChE + tabun<br />
 +
**[[1vxo]], [[1vxr]], [[6cqt]] - ''Tc''AChE + VX<br />
 +
**[[1dfp]] - ''Tc''AChE + DFP <br />
 +
**[[3gel]] - ''Tc''AChE + methyl paraoxon<br />
 +
**[[2dfp]] – ''Tc''AChE aged<br />
**[[2wu3]] – mAChE + fenamiphos and HI-6 <br />
**[[2wu3]] – mAChE + fenamiphos and HI-6 <br />
**[[2wu4]] – mAChE + fenamiphos and ortho-7 <br />
**[[2wu4]] – mAChE + fenamiphos and ortho-7 <br />
**[[2jgf]] - mAChE + fenamiphos <br />
**[[2jgf]] - mAChE + fenamiphos <br />
-
**[[2wfz]], [[2wg0]], [[2wg2]], [[1som]] - ''Tc''AChE + soman <br />
 
-
**[[2wg1]] - ''Tc''AChE + soman + 2-PAM <br />
 
**[[2whp]], [[2whq]], [[2whr]], [[5fpp]] – mAChE + sarin and HI-6 <br />
**[[2whp]], [[2whq]], [[2whr]], [[5fpp]] – mAChE + sarin and HI-6 <br />
**[[2y2v]] - mAChE + sarin <br />
**[[2y2v]] - mAChE + sarin <br />
-
**[[5fpq]] - hAChE + sarin<br />
+
**[[2jgl]] - mAChE + VX + sarin <br />
-
**[[2jgl]] - mAChE + VX and sarin <br />
+
**[[3dl4]], [[3dl7]], [[2c0p]], [[2c0q]] – mAChE + tabun <br />
-
**[[1cfj]] - ''Tc''AChE + sarin, GB <br />
+
-
**[[3dl4]], [[3dl7]] – mAChE + tabun <br />
+
**[[2jey]] – mAChE + HLO-7 <br />
**[[2jey]] – mAChE + HLO-7 <br />
-
**[[2c0p]], [[2c0q]] - mAChE + tabun <br />
 
**[[2jez]] - mAChE + tabun + HLO-7 <br />
**[[2jez]] - mAChE + tabun + HLO-7 <br />
**[[2jf0]] - mAChE + tabun + Ortho-7 <br />
**[[2jf0]] - mAChE + tabun + Ortho-7 <br />
**[[2y2u]] - mAChE + VX <br />
**[[2y2u]] - mAChE + VX <br />
-
**[[1vxo]], [[1vxr]] - ''Tc''AChE + VX<br />
 
**[[2jgi]], [[2jgm]], [[5hcu]] - mAChE + DFP <br />
**[[2jgi]], [[2jgm]], [[5hcu]] - mAChE + DFP <br />
**[[5dtj]] – mAChE + DFP + SP-134<br />
**[[5dtj]] – mAChE + DFP + SP-134<br />
-
**[[1dfp]] - ''Tc''AChE + DFP <br />
 
**[[2jgj]], [[2jgk]], [[2jge]] - mAChE + methamidophos <br />
**[[2jgj]], [[2jgk]], [[2jge]] - mAChE + methamidophos <br />
**[[2gyu]] - mAChE + HI-6 <br />
**[[2gyu]] - mAChE + HI-6 <br />
**[[2gyv]] - mAChE + Ortho-7 <br />
**[[2gyv]] - mAChE + Ortho-7 <br />
**[[2gyw]] - mAChE + obidoxime <br />
**[[2gyw]] - mAChE + obidoxime <br />
-
**[[3gel]] - TcAChE + methyl paraoxon<br />
+
**[[6cqt]], [[6cqx]], [[6cqz]] - hAChE + VX<br />
 +
**[[5fpq]] - hAChE + sarin<br />
 +
**[[6cqu]] – hAChE + HI-6<br />
 +
**[[6cqv]], [[2cqw]] – hAChE + HI-6 + VX<br />
 +
**[[6cqy]] – hAChE + HI-6 + EMPA<br />
**[[5hf6]], [[5hf8]], [[5hf5]] – hAChE (mutant) + paraoxon<br />
**[[5hf6]], [[5hf8]], [[5hf5]] – hAChE (mutant) + paraoxon<br />
**[[5hfa]] – hAChE + paraoxon + 2-PAM<br />
**[[5hfa]] – hAChE + paraoxon + 2-PAM<br />
**[[5hf9]] – hAChE + paraoxon + HI6<br />
**[[5hf9]] – hAChE + paraoxon + HI6<br />
-
**[[2dfp]] – TcAChE aged<br />
 
*AChE substrate analogues mimicking the binding of the substrate acetylcholine
*AChE substrate analogues mimicking the binding of the substrate acetylcholine
**[[2ha4]] – mAChE (mutant) + acetylcholine <br />
**[[2ha4]] – mAChE (mutant) + acetylcholine <br />
-
**[[2vja]], [[2vjb]], [[2vjc]], [[2vjd]], [[2cf5]] – TcAChE + 4-oxo-N,N,N-trimethylpentanaminium
 
-
**[[2v96]], [[2v97]], [[2v98]], [[2v99]] – ''Tc''AChE + 1-(2-nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine <br />
 
**[[2ha2]] – mAChE + succinylcholine <br />
**[[2ha2]] – mAChE + succinylcholine <br />
**[[2ha3]] - mAChE + choline <br />
**[[2ha3]] - mAChE + choline <br />
Line 134: Line 152:
**[[2ha6]] – mAChE (mutant) + succinylthiocholine <br />
**[[2ha6]] – mAChE (mutant) + succinylthiocholine <br />
**[[2ha7]] – mAChE (mutant) + butyrylthiocholine <br />
**[[2ha7]] – mAChE (mutant) + butyrylthiocholine <br />
 +
**[[2vja]], [[2vjb]], [[2vjc]], [[2vjd]], [[2cf5]] – ''Tc''AChE + 4-oxo-N,N,N-trimethylpentanaminium
 +
**[[2v96]], [[2v97]], [[2v98]], [[2v99]] – ''Tc''AChE + 1-(2-nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine <br />
**[[2ch4]], [[2c58]] – ''Tc''AChE + acetylthiocholine <br />
**[[2ch4]], [[2c58]] – ''Tc''AChE + acetylthiocholine <br />
**[[2c5g]] – ''Tc''AChE + thiocholine <br />
**[[2c5g]] – ''Tc''AChE + thiocholine <br />
-
**[[2c5f]] – TcAChE + substrate analog<br />
+
**[[2c5f]] – ''Tc''AChE + substrate analog<br />
-
**[[2va9]] - TcAChE + ‘caged’ arsenocholine<br />
+
**[[2va9]] - ''Tc''AChE + ‘caged’ arsenocholine<br />
**[[4ey7]] – hAChE + donepezil<br />
**[[4ey7]] – hAChE + donepezil<br />

Revision as of 10:35, 26 February 2019

3D Structures of AChE

Updated on 26-February-2019

Proteopedia Page Contributors and Editors (what is this?)

Michal Harel, Joel L. Sussman, Jaime Prilusky

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