6U37

Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B

Summary for 6U37

Entry DOI	10.2210/pdb6u37/pdb
Descriptor	Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP, (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, ... (6 entities in total)
Functional Keywords	oxime reactivator complex, vx-phosphonylated conjugate, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	121805.05
Authors	Kovalevsky, A.,Gerlits, O.,Radic, Z. (deposition date: 2019-08-21, release date: 2020-02-12, Last modification date: 2023-10-11)
Primary citation	Gorecki, L.,Gerlits, O.,Kong, X.,Cheng, X.,Blumenthal, D.K.,Taylor, P.,Ballatore, C.,Kovalevsky, A.,Radic, Z. Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295:4079-4092, 2020 Cited by PubMed: 32019865 DOI: 10.1074/jbc.RA119.012400 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation