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Adjust numbering for removed termini
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We didn't model a large part of the Nef and CD4mut
sequences. Modern IMP automatically trims these as
per PDB's recommendation. Since this removes N terminal
residues, which are always numbered from 1, we have
to adjust the UniProt numbering to match.
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benmwebb committed Dec 5, 2024
1 parent e17c356 commit 18454a9
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions scripts/mod_Nef_AP2_newhelix.py
Original file line number Diff line number Diff line change
Expand Up @@ -262,17 +262,17 @@

lpep = ihm.LPeptideAlphabet()
d = 'Construct used for crystallization'
sd_nef = [ihm.reference.SeqDif(33, lpep['A'], lpep['V'], details=d),
ihm.reference.SeqDif(65, lpep['K'], lpep['E'], details=d),
ihm.reference.SeqDif(133, lpep['I'], lpep['V'], details=d)]
sd_nef = [ihm.reference.SeqDif(13, lpep['A'], lpep['V'], details=d),
ihm.reference.SeqDif(45, lpep['K'], lpep['E'], details=d),
ihm.reference.SeqDif(113, lpep['I'], lpep['V'], details=d)]

sd_AP2b2 = [ihm.reference.SeqDif(16, lpep['F'], lpep['S'], details=d),
ihm.reference.SeqDif(421, lpep['Y'], lpep['H'], details=d),
ihm.reference.SeqDif(434, lpep['E'], lpep['G'], details=d)]

# name : (uniprot id, mutations, [[db_begin, db_end, entity_begin, entity_end]]
Uniprot={'Nef.0': ('P03404',sd_nef,[[26,202,26,202]]),
'CD4mut.0': ('P01730',[],[[28,387,1,360]]),
Uniprot={'Nef.0': ('P03404',sd_nef,[[26,202,6,182]]),
'CD4mut.0': ('P01730',[],[[423,444,5,26]]),
'AP2alpha2.0':('P18484',[],[[1,272,1,272],[273,621,274,622]]),
'AP2mu2.0': ('Q96CW1',[],[]),
'AP2sigma.0': ('P53680',[],[]),
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