[MMTK] Length one peptides in PDB files
Peter
mmtk at maubp.freeserve.co.uk
Thu Jan 19 17:20:36 CET 2006
I have been trying to load PDB file 1ATL, using either:
configuration = MMTK.PDB.PDBConfiguration(filename)
protein = MMTK.Proteins.Protein(configuration.createPeptideChains(model
= "no_hydrogens"))
Or simply:
protein = MMTK.Proteins.Protein(filename, model="no_hydrogens")
Both fail as follows:
IOError: Database entry Groups/tyrosine_nt_ct_noh not found
Notice that chains C and D are length one (tyrosine with an associated
metal complex):
PDBConfiguration('top500\\1atl.pdb'):
Peptide chain A of length 200
Peptide chain C of length 1
Peptide chain B of length 200
Peptide chain D of length 1
2 SLE molecules
2 ZN molecules
2 CH3 molecules
2 CA molecules
159 HOH molecules
As the "chain" is only length one, this means that the tyrosine is both
n-terminal and c-terminal - something the current MMTK database does not
include.
Thank you
Peter
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