Re: [ccp4bb]: putative disulfide bond based on 3D structure

["Gerard \"DVD\" Kleywegt" <gerard@xray.bmc.uu.se>]

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> I work on a protein containing no Cys and with known crystal structure.
> What I want to do is to locate any two reasonably adjacent residues and
> mutate them into Cys so that them could form a disulfide bond without
> changing the overall structure of the protein. Manual inspection and
> calculation using graphic programs seems to be laboring. So, does anybody
> there know some programs that can be used to identify putative disulfide
> bonds on the basis of a known structure?

bart hazes wrote such a program back in the days when sweden was still capable
of beating belarus at hockey (1988). i think he posted the source code here a
couple of years ago (1998 ?). from the code:

C                       PROGRAM SSBOND

C     PROGRAM SSBOND LOCATES PAIRS OF AMINO ACID RESIDUES WHICH COULD
C     FORM SS-BONDS IF THEY HAD BEEN CYS RESIDUES.  TESTS ARE MADE ON
C     GEOMETRICAL RESTRAINTS AND ENERGY OF THE PREDICTED CONFORMATION
C     WRITTEN BY BART HAZES                            APRIL  7, 1988

i'm sure he'll send it to you

--dvd

******************************************************************
                        Gerard J.  Kleywegt
    [Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
                Biomedical Centre  Box 596
                SE-751 24 Uppsala  SWEDEN

    http://xray.bmc.uu.se/gerard/  mailto:gerard@xray.bmc.uu.se
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