An extension of this topic: does anyone know of examples where for
complexes between the two proteins A and B, protein A has two different
conformations at its interface?
thanks
chandra
> -----Original Message-----
> From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
> Aaron Oakley
> Sent: Tuesday, January 13, 2009 1:19 AM
> To: [log in to unmask]
> Subject: Re: [ccp4bb] Ligand binding in multiple conformation
>
>
>
>
>> I had a question about flexibility in ligand binding in an enzyme
>>
> active site.
>
>> Is it possible for a substrate/product analogue to bind in more than
>>
> one conformation in the active site.
>
> Yes. It is even possible for portions of a ligand to be disordered and
> not discernable in electron density.
>
>
>> Since the ligand/enzyme interactions are very specific I am a little
>>
> confused about this.
>
>> Also which program would you use if you have to refine with alternate
>>
> ligand conformation.
>
> REFMAC will do this just fine. Just make sure you have the "A", "B"
> conformers set in the PDB file.
>
> EG:
>
> ATOM 72 CA APRO A 7 -2.619 28.983 -0.796 0.62 6.48
> C
> ATOM 73 CA BPRO A 7 -2.226 29.044 -0.847 0.38 5.76
> C
>
>
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