1qiw
From Proteopedia
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CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD)
Overview
An arylalkylamine-type calmodulin antagonist, N-(3, 3-diphenylpropyl)-N'-[1-R-(3, 4-bis-butoxyphenyl)ethyl]-propylene-diamine, (AAA) is presented and its complexes with calmodulin are characterized in, solution and in the crystal. Near-UV circular dichroism spectra show that, AAA binds to calmodulin with 2:1 stoichiometry in a Ca(2+)-dependent, manner. The crystal structure with 2:1 stoichiometry is determined to 2.64, A resolution. The binding of AAA causes domain closure of calmodulin, similar to that obtained with trifluoperazine. Solution and crystal data, indicate that each of the two AAA molecules anchors in the hydrophobic, pockets of calmodulin, overlapping with two trifluoperazine sites, i.e. at, a hydrophobic pocket and an interdomain site. The two AAA molecules also, interact ... [(full description)]
About this Structure
1QIW is a [Single protein] structure of sequence from [Bos taurus] with CA and DPD as [ligands]. Structure known Active Sites: A1, A2, A3, A4, B1, B2, B3 and B4. Full crystallographic information is available from [OCA].
Reference
A new potent calmodulin antagonist with arylalkylamine structure: crystallographic, spectroscopic and functional studies., Harmat V, Bocskei Z, Naray-Szabo G, Bata I, Csutor AS, Hermecz I, Aranyi P, Szabo B, Liliom K, Vertessy BG, Ovadi J, J Mol Biol. 2000 Mar 31;297(3):747-55. PMID:10731425
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