Domenico:
CSA data for 27 templates suggest that the catalytic site is made up of Asp156, Lys158, Ala160, Asn161 and Thr219. They all colocalize in our 3D model.
Ligand binding residues can be predicted from 18 valid complexes. The consensus from at least six of them is Ile36, Gly37, Arg38, Val44, Ala57, Lys59, Ile90, Leu111, Glu112, Ile113, Ala114, Asp115, Ser116, Asp117, Ala160, Asn161, Leu163, Cys173 and Asp174.
Template structures are also known to bind Mg as a cofactor. Four hits have been solved in complex with this ion and they all bind it through a pair of identically conserved Asn and Asp. The corresponding residues in the target sequence are Asn161 and Asp174.

PFRMAT FN
TARGET T0597
AUTHOR 7656-5034-1890
REMARK Sequence consensus of contacts between homologous structures and ligands
METHOD pGenTHREADER and PDBSum and CSA data mining.
MODEL 1
Binding site: 36, 37, 38, 44, 57, 59, 90, 111, 112, 113, 114, 115, 116, 117, 156, 158, 160, 161, 163, 173, 174, 219
END

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