7AMD

In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design

Summary for 7AMD

Entry DOI	10.2210/pdb7amd/pdb
Descriptor	Choline O-acetyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate, SODIUM ION, ... (4 entities in total)
Functional Keywords	chat, inhibitor, avp, hydrothiolation, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	69173.19
Authors	Allgardsson, A.,Ekstrom, F.J.,Wiktelius, D.,Bergstrom, T.,Hoster, N.,Akfur, C.,Forsgren, N.,Lejon, C.,Hedenstrom, M.,Linusson, A. (deposition date: 2020-10-08, release date: 2020-10-28, Last modification date: 2024-01-31)
Primary citation	Wiktelius, D.,Allgardsson, A.,Bergstrom, T.,Hoster, N.,Akfur, C.,Forsgren, N.,Lejon, C.,Hedenstrom, M.,Linusson, A.,Ekstrom, F. In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design. Angew.Chem.Int.Ed.Engl., 60:813-819, 2021 Cited by PubMed: 33079431 DOI: 10.1002/anie.202011989 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation