5EKH

Human Carbonic Anhydrase II complexed with a two-faced guest

Summary for 5EKH

• Entry DOI: 10.2210/pdb5ekh/pdb
• Related: 5EKJ 5EKM
• Descriptor: Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (6 entities in total)
• Functional Keywords: lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 29695.89

Authors

Roose, B.W.,Dmochowksi, I.J. (deposition date: 2015-11-03, release date: 2016-01-06, Last modification date: 2023-09-27)

Primary citation

Wang, Y.,Roose, B.W.,Philbin, J.P.,Doman, J.L.,Dmochowski, I.J.
Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55:1733-1736, 2016

PubMed Abstract: A supramolecular strategy for detecting specific proteins in complex media by using hyperpolarized (129) Xe NMR is reported. A cucurbit[6]uril (CB[6])-based molecular relay was programmed for three sequential equilibrium conditions by designing a two-faced guest (TFG) that initially binds CB[6] and blocks the CB[6]-Xe interaction. The protein analyte recruits the TFG and frees CB[6] for Xe binding. TFGs containing CB[6]- and carbonic anhydrase II (CAII)-binding domains were synthesized in one or two steps. X-ray crystallography confirmed TFG binding to Zn(2+) in the deep CAII active-site cleft, which precludes simultaneous CB[6] binding. The molecular relay was reprogrammed to detect avidin by using a different TFG. Finally, Xe binding by CB[6] was detected in buffer and in E. coli cultures expressing CAII through ultrasensitive (129) Xe NMR spectroscopy.

PubMed: 26692420
DOI: 10.1002/anie.201508990

Experimental method

X-RAY DIFFRACTION (1.34 Å)