Modeller
If you want to use this structure as a template for modelisation with Modeller, you can use the following sequence to build the alignment file "*.ali".
To avoid the classical Modeller error :
'Number of residues in the alignment and pdb files are different'(see FAQ n°17),
the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.
GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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1) align this sequence with your sequence to modelised;
2) replace the "X" by "-" in the obtained alignement, then build your "*.ali" file;
3) use Modeller to make your models;
4) And finally use the following information found in the PDB to add this PTM in your models (see FAQ n°8 & 9 and this archive of Modeller usage).
REMARK 500 ASN A 75 -66.27 -131.34 MODRES 3GW5 ASN A 75 ASN GLYCOSYLATION SITE LINK ND2 ASN A 75 C1 NAG C 1 1555 1555 1.45 ATOM 550 N ASN A 75 44.935 -5.411 9.877 1.00 29.41 N ATOM 551 CA ASN A 75 44.048 -6.350 10.539 1.00 30.32 C ATOM 552 C ASN A 75 44.455 -7.782 10.201 1.00 29.04 C ATOM 553 O ASN A 75 44.893 -8.529 11.070 1.00 29.02 O ATOM 554 CB ASN A 75 42.595 -6.101 10.119 1.00 32.61 C ATOM 555 CG ASN A 75 41.619 -6.966 10.882 1.00 34.31 C ATOM 556 OD1 ASN A 75 41.369 -8.106 10.503 1.00 32.71 O ATOM 557 ND2 ASN A 75 41.074 -6.431 11.970 1.00 41.05 N LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.39 HETATM 5152 C1 NAG C 1 40.598 -7.290 13.036 1.00 46.54 C HETATM 5153 C2 NAG C 1 41.301 -6.932 14.352 1.00 48.06 C HETATM 5154 C3 NAG C 1 40.761 -7.799 15.495 1.00 51.71 C HETATM 5155 C4 NAG C 1 39.227 -7.757 15.553 1.00 53.85 C HETATM 5156 C5 NAG C 1 38.656 -8.104 14.171 1.00 53.57 C HETATM 5157 C6 NAG C 1 37.132 -8.066 14.094 1.00 54.57 C HETATM 5158 C7 NAG C 1 43.596 -6.258 14.694 1.00 46.44 C HETATM 5159 C8 NAG C 1 44.968 -6.772 15.086 1.00 46.70 C HETATM 5160 N2 NAG C 1 42.729 -7.144 14.210 1.00 48.13 N HETATM 5161 O3 NAG C 1 41.298 -7.348 16.730 1.00 51.26 O HETATM 5162 O4 NAG C 1 38.763 -8.716 16.527 1.00 59.48 O HETATM 5163 O5 NAG C 1 39.172 -7.185 13.182 1.00 48.39 O HETATM 5164 O6 NAG C 1 36.613 -6.787 14.435 1.00 56.82 O HETATM 5165 O7 NAG C 1 43.330 -5.067 14.830 1.00 45.68 O HETATM 5166 C1 NAG C 2 37.946 -8.251 17.551 1.00 63.56 C HETATM 5167 C2 NAG C 2 37.475 -9.437 18.399 1.00 65.12 C HETATM 5168 C3 NAG C 2 36.647 -8.937 19.583 1.00 66.09 C HETATM 5169 C4 NAG C 2 37.457 -7.917 20.386 1.00 66.41 C HETATM 5170 C5 NAG C 2 37.943 -6.792 19.462 1.00 66.41 C HETATM 5171 C6 NAG C 2 38.835 -5.789 20.179 1.00 67.59 C HETATM 5172 C7 NAG C 2 36.962 -11.649 17.606 1.00 68.26 C HETATM 5173 C8 NAG C 2 36.008 -12.551 18.378 1.00 68.19 C HETATM 5174 N2 NAG C 2 36.690 -10.348 17.591 1.00 67.10 N HETATM 5175 O3 NAG C 2 36.293 -10.032 20.416 1.00 66.94 O HETATM 5176 O4 NAG C 2 36.652 -7.376 21.424 1.00 67.58 O HETATM 5177 O5 NAG C 2 38.711 -7.342 18.364 1.00 65.07 O HETATM 5178 O6 NAG C 2 39.943 -6.427 20.806 1.00 68.27 O HETATM 5179 O7 NAG C 2 37.940 -12.134 17.031 1.00 67.69 O
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