6EWK

T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime.

Summary for 6EWK

DescriptorAcetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, ... (5 entities in total)
Functional Keywordsacetylcholinesterase, reactivator, aldehyde oxime, organophosphate poisoning, hydrolase
Biological sourceTetronarce californica (Pacific electric ray)
Total number of polymer chains1
Total molecular weight61865.8
Authors
de la Mora, E.,Weik, M.,Braiki, A.,Mougeot, R.,Jean, L.,Renard, P.I. (deposition date: 2017-11-04, release date: 2018-11-14)
Primary citation
Zorbaz, T.,Braiki, A.,Katalinic, M.,Renou, J.,de la Mora, E.,Mercey, G.,Gomez, C.,Mougeot, R.,Hrvat, N.M.,Marakovic, N.,Perez, B.,Weik, M.,Jean, L.,Kovarik, Z.,Renard, P.Y.
Reactivation potency and blood-brain barrier penetration of 3-hydroxy-2-pyridine aldoximes in organophosphate poisoning
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.22 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22050 3.9% 1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6ewk
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Molmil generated image of 6ewk
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Molmil generated image of 6ewk
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More Biological unit images

Molmil generated image of 6ewk
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Molmil generated image of 6ewk
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Molmil generated image of 6ewk
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6ewk.pdb1.gz [190.93 KB])
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