Vu Thai wrote:
> Hi,
>
> I have a protein that binds nucleotides, and in my structure, it
> appears that the binding pocket is partial occupied by ADP and AMP;
> the beta phosphate of ADP is transfered to another molecule. I want
> to refine the structure with both ADP and AMP modeled in the sight and
> manually vary their occupancy to see what effects it will have. I was
> wondering if I need to keep the RESID number the same for the AMP and
> ADP molecule or do they need to be different?
>
> Thanks,
> vu
>
>
>
They can have different residue numbers - providing they have
occupancies which add up to < = 1.
But how completely do they overlap - you may do better to set the second
phosphate occ to 0.5 and keep all the other atomas of "ADP-" to 1.0
You can always describe the phenonomem in the text..
Eleanor
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