Hello,
Tyrosine can be deprotonated in the vicinity of a metallic cation.
Moreover, in electronic transfer of photosynthetic reactions a
specific tyrosine is deprotonated. See
http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0026808
for an example of such system.
Regards
Florent
On Sun, 05 Feb 2012 09:16:17 +0100
Albert <mailmd2011.gmail.com> wrote:
> I am just curious about in which condition the Tyr would be
> deprotanated? As far I know , from the aspect of pKa, it is very
> difficult for Tyr to be deprotanted.....
>
>
> On 02/05/2012 09:04 AM, FyD wrote:
>> Dear Thomas,
>>
>>> I would like to simulate a heme binding protein. In this protein,
>>>the
>>> heme is coordinated by a his and a tyr. From experimental
>>>investigations
>>> it is clear that the tyr is deprotonated. But unfortunately, I
>>>cannot
>>> find any parameters for the deprotonated tyr. Has anybody out there
>>>such
>>> parameters and is willing to share them.
>> You need a molecular fragment for this Tyr(-); three fragments can
>>be
>> built: N-terminal, C-terminal and central. This is likely you only
>> need the central one; See:
>> http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#10 using
>>R.E.D.
>> http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#15 using
>>R.E.D.Server
>>
>> Now R.E.D. Server can generate the three fragments in a single step;
>>See:
>> http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#24
>> vs
>> http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#25
>>
>> regards, Francois
>>
>>
>>
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>
>
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-------------------------------------------------
Dr Florent Barbault
Maitre de conferences / Associate professor
Universite Paris Diderot
Laboratoire ITODYS
15 rue Jean de Baïf, bâtiment Lavoisier
75013 Paris FRANCE
http://florentbarbault.wordpress.com/
tel : (33) 01-57-27-88-50
e-mail : florent.barbault.univ-paris-diderot.fr
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Received on Sun Feb 05 2012 - 01:00:02 PST
