title: Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
abstract: A glycosylated lectin (CTL) with specificity for mannose and glucose has been detected and purified from seeds of Centrolobium tomentosum, a legume plant from Dalbergieae tribe. It was isolated by mannose-sepharose affinity chromatography. The primary structure was determined by tandem mass spectrometry and consists of 245 amino acids, similar to other Dalbergieae lectins. CTL structures were solved from two crystal forms, a monoclinic and a tetragonal, diffracted at 2.25 and 1.9 Å, respectively. The carbohydrate recognition domain (CRD), metal-binding site and glycosylation site were characterized, and the structural basis for mannose/glucose-binding was elucidated. The lectin adopts the canonical dimeric organization of legume lectins. CTL showed acute inflammatory effect in paw edema model. The protein was subjected to ligand screening (dimannosides and trimannoside) by molecular docking, and interactions were compared with similar lectins possessing the same ligand specificity. This is the first crystal structure of mannose/glucose native seed lectin with proinflammatory activity isolated from the Centrolobium genus.
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Alysson Chaves
authors.initials: AC
authors.lastname: Almeida
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Vinicius Jose da Silva
authors.initials: VJ
authors.lastname: Osterne
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Mayara Queiroz
authors.initials: MQ
authors.lastname: Santiago
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Vanir Reis
authors.initials: VR
authors.lastname: Pinto-Junior
authors.affiliation: Departamento de Biologia Molecular, Centro de Ciências Exatas e da Natureza - Campus I, Universidade Federal da Paraíba, João Pessoa, Paraíba, Brazil.
authors.forename: Jose Caetano
authors.initials: JC
authors.lastname: Silva-Filho
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Claudia Figueiredo
authors.initials: CF
authors.lastname: Lossio
authors.affiliation: Instituto de Superior de Ciências Fisiológicas-ISCB, Universidade Estadual do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Francisco Lucas Faustino
authors.initials: FL
authors.lastname: Nascimento
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Ricardo Patricio Honorato
authors.initials: RP
authors.lastname: Almeida
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Claudener Souza
authors.initials: CS
authors.lastname: Teixeira
authors.affiliation: Departamento de Bioquímica, Centro de Ciências Biológicas, Universidade Federal de Santa Catarina, Florianópolis, Santa Catarina, Brazil.
authors.forename: Rodrigo Bainy
authors.initials: RB
authors.lastname: Leal
authors.affiliation: Departamento de Biologia Molecular, Centro de Ciências Exatas e da Natureza - Campus I, Universidade Federal da Paraíba, João Pessoa, Paraíba, Brazil.
authors.forename: Plinio
authors.initials: P
authors.lastname: Delatorre
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Bruno Anderson Matias
authors.initials: BA
authors.lastname: Rocha
authors.affiliation: Instituto de Superior de Ciências Fisiológicas-ISCB, Universidade Estadual do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Ana Maria Sampaio
authors.initials: AM
authors.lastname: Assreuy
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil.
authors.forename: Kyria Santiago
authors.initials: KS
authors.lastname: Nascimento
authors.affiliation: Laboratório de Moléculas Biologicamente Ativas - BioMol-Lab, Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, Fortaleza, Ceará, Brazil. Electronic address: bscavada@ufc.br.
authors.forename: Benildo Sousa
authors.initials: BS
authors.lastname: Cavada
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D004195:Disease Models, Animal; D004487:Edema / Q000139:chemically induced* / Q000473:pathology; D007887:Fabaceae / Q000737:chemistry*; D005260:Female; D006031:Glycosylation; D007249:Inflammation / Q000139:chemically induced / Q000473:pathology; D037601:Mannose-Binding Lectin / Q000737:chemistry / Q000633:toxicity; D013058:Mass Spectrometry; D062105:Molecular Docking Simulation; D037121:Plant Lectins / Q000737:chemistry / Q000633:toxicity; D023302:Protein Footprinting; D051381:Rats; D017208:Rats, Wistar; D012639:Seeds / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D037601:Mannose-Binding Lectin; D037121:Plant Lectins
keywords: Centrolobium tomentosum; Crystal structure; Lectin; Molecular docking; Primary structure; Proinflammatory activity