There is also discussion about this for chaperonins such as CCT and GroEL. It may be that beryllium fluoride works better.
Best wishes James > On 12 Dec 2023, at 05:30, Matthew BOWLER <mbow...@embl.fr> wrote: > > Dear Jinyu, > we observed exactly this in PGK - see https://doi.org/10.1021/ja100974t where > we confirmed it by both crystallography and 19F NMR > > In fact ALF3 does not exist as a trigonal bipyramid - all cases where this > geometry is observed are likely MgF3 that does adopt this geometry and will > replace the aluminium at pH values above 8 as Al will precipitate as AlOH. > > We only saw the water replacing the F when a catalytic residue charge was > removed and proposed the hypothesis that phos transfer enzymes need to > balance the charge in the active site exactly therefore selecting the neutral > AlF3 over negative AlF4- that both exist in solution. > > Best wishes, Matt > >> On 2023-12-12 03:40, Friday wrote: >> Dear CCP4 community, >> I recently tried to use AlF3 to mimic the transition of an enzyme. In >> all the publications I can find, when mimicking the 3rd phosphate of >> the transition state, the AlF3 forms a trigonal bipyramid >> coordination, and the G(A)DP oxygen to the AL is about equal distance >> to that from the AL to the catalytic water oxygen (2.2A). >> However, I got a completely different geometry of ALF3, I think I have >> the ALF3OH bound and it's a tetrahedron geometry instead of trigonal >> pyramidal. The G(A)DP oxygen to the AL is about 3.1A and the AL to >> the catalytic water oxygen is about 1.8A. >> I am pretty sure it is not the ALF4 but the ALF3OH since the AL-OH >> distance is longer than the Al-F distance (1.8A verse 1.6A) and I have >> a very high resolution structure. >> Can anyone explain this to me, have you ever encountered this before? >> Your answer is much appreciated! >> Jinyu >> ------------------------- >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > -- > Matthew Bowler > Project Leader MASSIF1@ESRF > European Molecular Biology Laboratory > 71 avenue des Martyrs > CS 90181 F-38042 Grenoble > France > =================================================== > Tel: +33 (0) 4.76.20.76.37 > Fax: +33 (0) 4.76.20.71.99 > > http://www.embl.fr/ > http://www.esrf.eu/MASSIF1 > https://twitter.com/id30_massif1 > https://www.embl.org/people/person/mbowler/ > =================================================== > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > This message was issued to members of http://www.jiscmail.ac.uk/CCP4BB, a > mailing list hosted by http://www.jiscmail.ac.uk/, terms & conditions are > available at https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
