5KPF

Crystal structure of cytochrome c - Phenyl-trisulfonatocalix[4]arene complex

Summary for 5KPF

• Entry DOI: 10.2210/pdb5kpf/pdb
• Related: 3TYI 4N0K 4YE1 5LFT 5T8W
• Descriptor: Cytochrome c iso-1, HEME C, NITRATE ION, ... (5 entities in total)
• Functional Keywords: cytochrome c, modified calixarene, phenyl group, electron transport
• Biological source: Saccharomyces cerevisiae (Baker's yeast)
• Cellular location: Mitochondrion intermembrane space: P00044
• Total number of polymer chains: 2
• Total formula weight: 26123.32

Authors

Doolan, A.M.,Rennie, M.L.,Crowley, P.B. (deposition date: 2016-07-04, release date: 2017-07-12, Last modification date: 2024-01-10)

Primary citation

Doolan, A.M.,Rennie, M.L.,Crowley, P.B.
Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24:984-991, 2018

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: 29125201
DOI: 10.1002/chem.201704931

Experimental method

X-RAY DIFFRACTION (1.698 Å)