01826nam a2200265 a 450000100080000000500110000800800410001910000190006024501340007926001600021330000110037352009650038465000190134965000130136865300200138165300140140165300150141570000150143070000190144570000170146470000180148170000200149970000250151970000160154410314812020-01-15       2008    bl uuuu     u00u1 u    #d1 aJARDINE, J. G.  aHow did the structure function descriptors of proteins change with introduction of 'remediated' PDB files.h[electronic resource]  aIn: RED IBEROAMERICANA DE BIOINFORMÁTICA CONGRESS, 5., 2008, Santiago. Program and abstracts... Santiago. Pontificia Universidade Católica de Chilec2008  ap. 15.  aDue to reasons related mainly to modernization of structure annotation data, the RCSB/PDB implemented in August of 2007, a "remediated" PDB files. The major difference introduced by this format is related to the number of chains present in the PDB file. Namely, files such as the 1cho.pdb, suffered a change in number of chains present in the enzyme structure: from previous 1 to current 3. The reason for such change is based on the fact that the enzyme structure contains two gaps, which are treated with certain degree of difficulty by the software producers. We have invested a significant amount of time and CPU resources in order to curate and analyze what are the consequences for in-silicon analysis of the active site 3D environment after implementing remediated PDB files to STING_DB. For this purpose, we analyzed a number of proteins, chosen to represent both files which suffered a change in total numb er of chains as well as those which did not.  aBioinformatics  aProteins  aBioinformática  aPDB files  aProteínas1 aMAZONI, I.1 aMANCINI, A. L.1 aBORRO, L. C.1 aALVARENGA, D.1 aCECÍLIO, P. L.1 aPELLIGRINELLI, T. V.1 aNESHICH, G.