000478829 001__ 478829
000478829 005__ 20250724151429.0
000478829 0247_ $$2doi$$a10.3390/toxins14020149
000478829 0247_ $$2datacite_doi$$a10.3204/PUBDB-2022-02779
000478829 0247_ $$2altmetric$$aaltmetric:125528255
000478829 0247_ $$2pmid$$apmid:35202176
000478829 0247_ $$2WOS$$aWOS:000762016100001
000478829 0247_ $$2openalex$$aopenalex:W4213257158
000478829 037__ $$aPUBDB-2022-02779
000478829 041__ $$aEnglish
000478829 082__ $$a610
000478829 1001_ $$0P:(DE-HGF)0$$aDubovskii, Peter V.$$b0$$eCorresponding author
000478829 245__ $$aVariability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling
000478829 260__ $$aBasel$$bMDPI$$c2022
000478829 3367_ $$2DRIVER$$aarticle
000478829 3367_ $$2DataCite$$aOutput Types/Journal article
000478829 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1653994511_10107
000478829 3367_ $$2BibTeX$$aARTICLE
000478829 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000478829 3367_ $$00$$2EndNote$$aJournal Article
000478829 520__ $$aCobra cytotoxins (CTs) belong to the three-fingered protein family and possess membrane activity. Here, we studied cytotoxin 13 from Naja naja cobra venom (CT13Nn). For the first time, a spatial model of CT13Nn with both “water” and “membrane” conformations of the central loop (loop-2) were determined by X-ray crystallography. The “water” conformation of the loop was frequently observed. It was similar to the structure of loop-2 of numerous CTs, determined by either NMR spectroscopy in aqueous solution, or the X-ray method. The “membrane” conformation is rare one and, to date has only been observed by NMR for a single cytotoxin 1 from N. oxiana (CT1No) in detergent micelle. Both CT13Nn and CT1No are S-type CTs. Membrane-binding of these CTs probably involves an additional step—the conformational transformation of the loop-2. To confirm this suggestion, we conducted molecular dynamics simulations of both CT1No and CT13Nn in the Highly Mimetic Membrane Model of palmitoiloleoylphosphatidylglycerol, starting with their “water” NMR models. We found that the both toxins transform their “water” conformation of loop-2 into the “membrane” one during the insertion process. This supports the hypothesis that the S-type CTs, unlike their P-type counterparts, require conformational adaptation of loop-2 during interaction with lipid membranes.
000478829 536__ $$0G:(DE-HGF)POF4-6G3$$a6G3 - PETRA III (DESY) (POF4-6G3)$$cPOF4-6G3$$fPOF IV$$x0
000478829 588__ $$aDataset connected to CrossRef, Journals: bib-pubdb1.desy.de
000478829 693__ $$0EXP:(DE-H253)P-P14-20150101$$1EXP:(DE-H253)PETRAIII-20150101$$6EXP:(DE-H253)P-P14-20150101$$aPETRA III$$fPETRA Beamline P14$$x0
000478829 7001_ $$aDubova, Kira M.$$b1
000478829 7001_ $$0P:(DE-H253)PIP1007425$$aBourenkov, Gleb$$b2
000478829 7001_ $$aStarkov, Vladislav G.$$b3
000478829 7001_ $$aKonshina, Anastasia G.$$b4
000478829 7001_ $$aEfremov, Roman G.$$b5
000478829 7001_ $$00000-0002-4609-970X$$aUtkin, Yuri N.$$b6
000478829 7001_ $$aSamygina, Valeriya R.$$b7
000478829 773__ $$0PERI:(DE-600)2518395-3$$a10.3390/toxins14020149$$gVol. 14, no. 2, p. 149 -$$n2$$p149 $$tToxins$$v14$$x2072-6651$$y2022
000478829 8564_ $$uhttps://www.mdpi.com/2072-6651/14/2/149
000478829 8564_ $$uhttps://bib-pubdb1.desy.de/record/478829/files/Variability%20in%20the%20Spatial%20Structure%20of%20the%20Central%20Loop%20in%20Cobra%20Cytotoxins%20Revealed%20by%20X%20ray%20Analysis%20and%20Molecular%20Modeling.pdf$$yOpenAccess
000478829 8564_ $$uhttps://bib-pubdb1.desy.de/record/478829/files/Variability%20in%20the%20Spatial%20Structure%20of%20the%20Central%20Loop%20in%20Cobra%20Cytotoxins%20Revealed%20by%20X%20ray%20Analysis%20and%20Molecular%20Modeling.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000478829 909CO $$ooai:bib-pubdb1.desy.de:478829$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000478829 9101_ $$0I:(DE-588b)235011-7$$6P:(DE-H253)PIP1007425$$aEuropean Molecular Biology Laboratory$$b2$$kEMBL
000478829 9101_ $$0I:(DE-588)1043621512$$6P:(DE-H253)PIP1007425$$aEuropean XFEL$$b2$$kXFEL.EU
000478829 9131_ $$0G:(DE-HGF)POF4-6G3$$1G:(DE-HGF)POF4-6G0$$2G:(DE-HGF)POF4-600$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$aDE-HGF$$bForschungsbereich Materie$$lGroßgeräte: Materie$$vPETRA III (DESY)$$x0
000478829 9141_ $$y2022
000478829 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000478829 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)1190$$2StatID$$aDBCoverage$$bBiological Abstracts$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bTOXINS : 2019$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0501$$2StatID$$aDBCoverage$$bDOAJ Seal$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0500$$2StatID$$aDBCoverage$$bDOAJ$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0700$$2StatID$$aFees$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000478829 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0561$$2StatID$$aArticle Processing Charges$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0320$$2StatID$$aDBCoverage$$bPubMed Central$$d2021-05-04
000478829 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2021-05-04
000478829 9201_ $$0I:(DE-H253)EMBL-User-20120814$$kEMBL-User$$lEMBL-User$$x0
000478829 9201_ $$0I:(DE-H253)EMBL-20120731$$kEMBL$$lEMBL$$x1
000478829 980__ $$ajournal
000478829 980__ $$aVDB
000478829 980__ $$aUNRESTRICTED
000478829 980__ $$aI:(DE-H253)EMBL-User-20120814
000478829 980__ $$aI:(DE-H253)EMBL-20120731
000478829 9801_ $$aFullTexts