5LFT
Crystal structure of cytochrome c - Bromo-trisulfonatocalix[4]arene complexes
Summary for 5LFT
| Entry DOI | 10.2210/pdb5lft/pdb |
| Related | 5KPF 5T8W |
| Descriptor | Cytochrome c iso-1, HEME C, BROMIDE ION, ... (5 entities in total) |
| Functional Keywords | cytochrome c, modified calixarene, bromo group, electron transport |
| Biological source | Saccharomyces cerevisiae (Baker's yeast) |
| Total number of polymer chains | 1 |
| Total formula weight | 15050.80 |
| Authors | Doolan, A.M.,Rennie, M.L.,Crowley, P.B. (deposition date: 2016-07-04, release date: 2017-07-12, Last modification date: 2024-10-23) |
| Primary citation | Doolan, A.M.,Rennie, M.L.,Crowley, P.B. Protein Recognition by Functionalized Sulfonatocalix[4]arenes. Chemistry, 24:984-991, 2018 Cited by PubMed Abstract: The interactions of two mono-functionalized sulfonatocalix[4]arenes with cytochrome c were investigated by structural and thermodynamic methods. The replacement of a single sulfonate with either a bromo or a phenyl substituent resulted in altered recognition of cytochrome c as evidenced by X-ray crystallography. The bromo-substituted ligand yielded a new binding mode in which a self-encapsulated calixarene dimer contributed to crystal packing. This ligand also formed a weak halogen bond with the protein. The phenyl-substituted ligand was bound to Lys4 of cytochrome c, in a 1.7 Å resolution crystal structure. A dimeric packing arrangement mediated by ligand-ligand contacts in the crystal suggested a possible assembly mechanism. The different protein recognition properties of these calixarenes are discussed. PubMed: 29125201DOI: 10.1002/chem.201704931 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.249 Å) |
Structure validation
Download full validation report
