6RUA

Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.

Summary for 6RUA

• Entry DOI: 10.2210/pdb6rua/pdb
• Related: 5DYT
• Descriptor: Cholinesterase, diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium, TRIETHYLENE GLYCOL, ... (12 entities in total)
• Functional Keywords: human butyrylcholinesterase, insect cell, hydrolase, fluorescent probes, sulfonamide, inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 137887.74

Authors

Coquelle, N.,Knez, D.,Brus, B.,Gobec, S.,Colletier, J.P. (deposition date: 2019-05-27, release date: 2020-01-22, Last modification date: 2024-01-24)

• Primary citation: Pajk, S.,Knez, D.,Kosak, U.,Zorovic, M.,Brazzolotto, X.,Coquelle, N.,Nachon, F.,Colletier, J.P.,Zivin, M.,Stojan, J.,Gobec, S.; Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.; J Enzyme Inhib Med Chem, 35:498-505, 2020; PubMed: 31914836; DOI: 10.1080/14756366.2019.1710502

Experimental method

X-RAY DIFFRACTION (2.75 Å)