TY - JOUR

T1 - Migration of protons in a chain of tyrosine residues

AU - Stefanov, V. E.

AU - Tulub, A. A.

PY - 2001/6/6

Y1 - 2001/6/6

N2 - This article deals with the proton migration in a tyrosine stack, which models the proton channels existing in a number of proteins, including tubulin. The magnesium ion Mg2+ within the complex with guanosine triphosphate facilitates dissociation of a water molecule through initiating a shift of protons along the chain composed of relatively distant tyrosine residues. The process is thermodynamically stable (ΔG298 < 0). The energy barrier for the protein shift does not exceed 3.15 kJ/mole. A relatively weak electrostatic field mimicking electret properties of proteins facilitates long-distance proton migration.

AB - This article deals with the proton migration in a tyrosine stack, which models the proton channels existing in a number of proteins, including tubulin. The magnesium ion Mg2+ within the complex with guanosine triphosphate facilitates dissociation of a water molecule through initiating a shift of protons along the chain composed of relatively distant tyrosine residues. The process is thermodynamically stable (ΔG298 < 0). The energy barrier for the protein shift does not exceed 3.15 kJ/mole. A relatively weak electrostatic field mimicking electret properties of proteins facilitates long-distance proton migration.

KW - Ab initio calculations

KW - Protein electret

KW - Proton channels

KW - Tubulin-bound MgGTP complex

KW - Tyrosine stack

UR - http://www.scopus.com/inward/record.url?scp=0035815890&partnerID=8YFLogxK

U2 - 10.1002/qua.1072

DO - 10.1002/qua.1072

M3 - Article

AN - SCOPUS:0035815890

VL - 84

SP - 409

EP - 415

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 4

ER -