2W8G

Aplysia californica AChBP bound to in silico compound 35

Summary for 2W8G

• Entry DOI: 10.2210/pdb2w8g/pdb
• Related: 2BR7 2BR8 2BYN 2BYP 2BYQ 2BYR 2BYS 2C9T 2UZ6 2W8E 2W8F
• Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR, (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE (3 entities in total)
• Functional Keywords: receptor, acetylcholine receptor inhibitor, postsynaptic neurotoxin, toxin, secreted, amidation, conotoxin, neurotoxin, acetylcholine binding protein, nicotinic acetylcholine receptor-toxin complex, cleavage on pair of basic residues, conformational flexibility
• Biological source: APLYSIA CALIFORNICA (CALIFORNIA SEA HARE)
• Total number of polymer chains: 5
• Total formula weight: 124674.60

Authors

Ulens, C.,Akdemir, A.,Jongejan, A.,van Elk, R.,Edink, E.,Bertrand, S.,Perrakis, A.,Leurs, R.,Smit, A.B.,Sixma, T.K.,Bertrand, D.,de Esch, I.J. (deposition date: 2009-01-16, release date: 2009-04-14, Last modification date: 2023-12-13)

• Primary citation: Ulens, C.,Akdemir, A.,Jongejan, A.,Van Elk, R.,Bertrand, S.,Perrakis, A.,Leurs, R.,Smit, A.B.,Sixma, T.K.,Bertrand, D.,De Esch, I.J.; Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.; J.Med.Chem., 52:2372-, 2009; PubMed: 19331415; DOI: 10.1021/JM801400G

Experimental method

X-RAY DIFFRACTION (2.6 Å)