Re: [Jmol-users] what is a ligand?

[timothy driscoll]

at 1:38 pm EDT on (Tuesday) 18 November 2003 Miguel said:

> >> Uhh ... in 25 words or less ... what is a ligand?
> >>
> > a small molecule that binds specifically to a larger one.  many pdb
> > files define the ligand in the pdb header;
> 
> How does a =B4ligand=B4 relate to a =B4HETATM=B4?
> 
ligands are hetatm records; for details, see LIGANDS AND MODIFIED RESIDUES
at .

not all hetatm records are ligands, though - for example, solvent atoms
are hetatm records but not ligand.




> > I thought JMol might be able
> > to read that info if it exists.
> 
> Certainly if the info is in the header then Jmol can easily read it and
> save it as a property of the molecule.
> 
> Send me the pdbid of a sample molecule.
> 
from the above reference url, structure file 1D2F.pdb has vitamin B6
(group PLP) bound to a Lys in chain A:




regards,

:tim

-- 
timothy driscoll
molvisions - molecular graphics & visualization

usa:north carolina:wake forest


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[Jmol-users] what is a ligand?

[Miguel]

>> Uhh ... in 25 words or less ... what is a ligand?
>>
> a small molecule that binds specifically to a larger one.  many pdb
> files define the ligand in the pdb header;

How does a ´ligand´ relate to a ´HETATM´?

> I thought JMol might be able
> to read that info if it exists.

Certainly if the info is in the header then Jmol can easily read it and
save it as a property of the molecule.

Send me the pdbid of a sample molecule.


Miguel





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