%0 Journal Article %1 WOS:000396950600002 %A Pinto-Junior, Vanir Reis %A Osterne, Vinicius Jose Silva %A Santiago, Mayara Queiroz %A Correia, Jorge Luis Almeida %A Pereira-Junior, Francisco Nascimento %A Leal, Rodrigo Bainy %A Pereira, Maria Goncalves %A Chicas, Larissa Silva %A Nagano, Celso Shiniti %A Rocha, Bruno Anderson Matias %A Silva-Filho, Jose Caetano %A Ferreira, Wandemberg Paiva %A Rocha, Cintia Renata Costa %A Nascimento, Kyria Santiago %A Assreuy, Ana Maria Sampaio %A Cavada, Benildo Sousa %C RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS %D 2017 %I ELSEVIER %J INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES %K Structure; Vasorelaxation} {DrfL; %P 12-23 %R 10.1016/j.ijbiomac.2017.01.092 %T Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics %V 98 %X The three-dimensional structure of Dioclea reflexa seed lectin (DrfL) was studied in detail by a combination of X-ray crystallography, molecular docking and molecular dynamics. DrfL was purified by affinity chromatography using Sephadex G-50 matrix. Its primary structure was obtained by mass spectrometry, and crystals belonging to orthorhombic space group P2(1)2(1)2(1) were grown by the vapor diffusion method at 293 K. The crystal structure was solved at 1.765 A and was very similar to that of other lectins from the same subtribe. The structure presented R-factor and R-free of 21.69% and 24.89%, respectively, with no residues in nonallowed regions of Ramachandran plot. Similar to other Diocleinae lectins, DrfL was capable of relaxing aortic rings via NO induction, with CRD participation, albeit with low intensity (32%). In silica analysis results demonstrated that DrfL could strongly interact with complex N-glycans, components of blood vessel glycoconjugates. Despite the high similarity among Diocleinae lectins, it was also reported that each lectin has unique CRD properties that influence carbohydrate binding, resulting in different biological effects presented by these molecules. (C) 2017 Elsevier B.V. All rights reserved.

@article{WOS:000396950600002, abstract = {The three-dimensional structure of Dioclea reflexa seed lectin (DrfL) was studied in detail by a combination of X-ray crystallography, molecular docking and molecular dynamics. DrfL was purified by affinity chromatography using Sephadex G-50 matrix. Its primary structure was obtained by mass spectrometry, and crystals belonging to orthorhombic space group P2(1)2(1)2(1) were grown by the vapor diffusion method at 293 K. The crystal structure was solved at 1.765 A and was very similar to that of other lectins from the same subtribe. The structure presented R-factor and R-free of 21.69% and 24.89%, respectively, with no residues in nonallowed regions of Ramachandran plot. Similar to other Diocleinae lectins, DrfL was capable of relaxing aortic rings via NO induction, with CRD participation, albeit with low intensity (32%). In silica analysis results demonstrated that DrfL could strongly interact with complex N-glycans, components of blood vessel glycoconjugates. Despite the high similarity among Diocleinae lectins, it was also reported that each lectin has unique CRD properties that influence carbohydrate binding, resulting in different biological effects presented by these molecules. (C) 2017 Elsevier B.V. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS}, author = {Pinto-Junior, Vanir Reis and Osterne, Vinicius Jose Silva and Santiago, Mayara Queiroz and Correia, Jorge Luis Almeida and Pereira-Junior, Francisco Nascimento and Leal, Rodrigo Bainy and Pereira, Maria Goncalves and Chicas, Larissa Silva and Nagano, Celso Shiniti and Rocha, Bruno Anderson Matias and Silva-Filho, Jose Caetano and Ferreira, Wandemberg Paiva and Rocha, Cintia Renata Costa and Nascimento, Kyria Santiago and Assreuy, Ana Maria Sampaio and Cavada, Benildo Sousa}, biburl = {https://www.bibsonomy.org/bibtex/2252baf2d787be80e8256303fcebd497c/ppgfis_ufc_br}, doi = {10.1016/j.ijbiomac.2017.01.092}, interhash = {528ce7027a7c74592e780e5855e4c6b9}, intrahash = {252baf2d787be80e8256303fcebd497c}, issn = {0141-8130}, journal = {INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES}, keywords = {Structure; Vasorelaxation} {DrfL;}, pages = {12-23}, publisher = {ELSEVIER}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics}, tppubtype = {article}, volume = 98, year = 2017 }