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6H12

Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BAcetylcholinesterasepolymer56563764.02UniProt (P04058)
Pfam (PF00135)
In PDB
Tetronarce californica (Pacific electric ray)AChE
2A2-(N-MORPHOLINO)-ETHANESULFONIC ACIDnon-polymer195.24Chemie (MES)
3A, BGLYCEROLnon-polymer92.13Chemie (GOL)
4A, BTRIETHYLENE GLYCOLnon-polymer150.22Chemie (PGE)
5B, A1,2-ETHANEDIOLnon-polymer62.113Chemie (EDO)
6A, BSULFATE IONnon-polymer96.13Chemie (SO4)
7B, ADI(HYDROXYETHYL)ETHERnon-polymer106.18Chemie (PEG)
8B, A2-acetamido-2-deoxy-beta-D-glucopyranosenon-polymer221.25Chemie (NAG)
9A, BCHLORIDE IONnon-polymer35.56Chemie (CL)
10A, B1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]ureanon-polymer659.82Chemie (FJK)
11waterwater18.0746Chemie (HOH)
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight127527.9
Non-Polymers*Number of molecules46
Total formula weight5939.9
All*Total formula weight133467.9
*Water molecules are not included.

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PDB entries from 2024-03-27

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