Arg13 could play a catalytic role, based on CSA data. However, most of those annotations are inferred from homology and mutagenesis experiments on 1e5kA0 - the closest template - challenge this view.
The list of Genthreader's hits includes 11 valid protein-ligand complexes, according to MOAD. The consensus of these contacts includes Leu6, Val7, Gly8, Gly9, Arg13, Lys18, Thr19, Leu66, Gly69, Val70, Gly71, Ser72, Gly75, Ala90, Ile91, Asp92 and Asn180. However, Leu66 is far from all other amino acids in the manual �d model, so I would discard it.
In Swissprot some templates are annotated to use Mg as a cofactor, but we have not enough data to reliably predict its binding site.

AUTHOR 7656-5034-1890
REMARK Sequence consensus of contacts between homologous structures and ligands
METHOD pGenTHREADER and PDBSum and CSA data mining.
Binding site: 6, 7, 8, 9, 13, 18, 19, 69, 70, 71, 72, 75, 90, 91, 92, 180

Add new attachment

Only authorized users are allowed to upload new attachments.
« This page (revision-1) was last changed on 06-Jul-2010 17:59 by UnknownAuthor