5T8W

Cytochrome c - calixarene free

Summary for 5T8W

• Entry DOI: 10.2210/pdb5t8w/pdb
• Related: 3TYI 4N0K 4YE1 5KPF 5LFT
• Descriptor: Cyc1p, HEME C, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: cytochrome c, p212121, electron transport
• Biological source: Saccharomyces cerevisiae
• Total number of polymer chains: 2
• Total formula weight: 25391.45

Authors

Doolan, A.M.,Rennie, M.L.,Crowley, P.B. (deposition date: 2016-09-08, release date: 2017-11-01, Last modification date: 2024-10-16)

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 (1.6 Å)