title: Opposing influences of ruffling and doming deformation on the 4-N cavity size of porphyrin macrocycles: the role of heme deformations revealed.
abstract: Ruffle- and dome-type porphyrins were developed as model systems to investigate the role of deformation mode and degree of distortion in heme. Their crystal structures revealed that as the degree of distortion increases, cavity size can be contracted in the ruffle mode and expanded in the dome mode, and the size of cavity can exceed the limit of free metal ions from the fourth period (see scheme).
authors.affiliation: School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Chemistry, and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, Taoyuan Road, Xiangtan, 411201, PR China. zhouzaichun@hnust.edu.cn
authors.forename: Zaichun
authors.initials: Z
authors.lastname: Zhou
authors.forename: Min
authors.initials: M
authors.lastname: Shen
authors.forename: Chenzhong
authors.initials: C
authors.lastname: Cao
authors.forename: Qiuhua
authors.initials: Q
authors.lastname: Liu
authors.forename: Ziqiang
authors.initials: Z
authors.lastname: Yan
mesh_terms: D018360:Crystallography, X-Ray; D006418:Heme / Q000737:chemistry*; D006420:Hemeproteins / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D011166:Porphyrins / Q000737:chemistry*
chemical_list: D006420:Hemeproteins; D011166:Porphyrins; D006418:Heme