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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.
XXXXXPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRTENAVCGCSPGHFCIVQXXDHCAACRAYX
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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).
MODRES 2AW2 ASN Y 72 ASN GLYCOSYLATION SITE LINK ND2 ASN Y 72 C1 NAG D 1 1555 1555 1.45 ATOM 2987 N ASN Y 72 -20.451 45.494 3.410 1.00 84.69 N ATOM 2988 CA ASN Y 72 -21.677 44.756 3.121 1.00 84.49 C ATOM 2989 C ASN Y 72 -21.765 43.535 4.038 1.00 83.51 C ATOM 2990 O ASN Y 72 -20.737 43.019 4.477 1.00 83.22 O ATOM 2991 CB ASN Y 72 -21.719 44.339 1.645 1.00 86.43 C ATOM 2992 CG ASN Y 72 -21.999 45.511 0.712 1.00 89.15 C ATOM 2993 OD1 ASN Y 72 -22.968 46.247 0.912 1.00 88.78 O ATOM 2994 ND2 ASN Y 72 -21.154 45.681 -0.320 1.00 93.34 N LINK O6 NAG D 1 C1 FUL D 2 1555 1555 1.44 HETATM 3235 C1 NAG D 1 -21.498 46.799 -1.182 1.00 96.67 C HETATM 3236 C2 NAG D 1 -20.269 47.359 -1.901 1.00 98.22 C HETATM 3237 C3 NAG D 1 -20.667 48.548 -2.782 1.00 98.78 C HETATM 3238 C4 NAG D 1 -21.787 48.143 -3.738 1.00 99.08 C HETATM 3239 C5 NAG D 1 -22.939 47.504 -2.949 1.00100.14 C HETATM 3240 C6 NAG D 1 -24.086 47.032 -3.853 1.00101.32 C HETATM 3241 C7 NAG D 1 -17.962 47.666 -1.196 1.00 99.05 C HETATM 3242 C8 NAG D 1 -17.195 48.961 -1.235 1.00 99.46 C HETATM 3243 N2 NAG D 1 -19.263 47.754 -0.931 1.00 98.42 N HETATM 3244 O3 NAG D 1 -19.567 49.046 -3.516 1.00 98.54 O HETATM 3245 O4 NAG D 1 -22.225 49.281 -4.452 1.00 96.36 O HETATM 3246 O5 NAG D 1 -22.457 46.425 -2.156 1.00 97.80 O HETATM 3247 O6 NAG D 1 -24.132 45.616 -3.862 1.00102.15 O HETATM 3248 O7 NAG D 1 -17.398 46.591 -1.407 1.00 97.79 O HETATM 3249 C1 FUL D 2 -23.881 45.063 -5.172 1.00103.37 C HETATM 3250 C2 FUL D 2 -23.666 43.556 -5.022 1.00104.21 C HETATM 3251 O2 FUL D 2 -24.839 42.956 -4.517 1.00104.35 O HETATM 3252 C3 FUL D 2 -23.299 42.889 -6.348 1.00105.02 C HETATM 3253 O3 FUL D 2 -22.859 41.566 -6.107 1.00104.77 O HETATM 3254 C4 FUL D 2 -22.207 43.669 -7.081 1.00104.92 C HETATM 3255 O4 FUL D 2 -20.965 43.476 -6.437 1.00104.99 O HETATM 3256 C5 FUL D 2 -22.561 45.158 -7.133 1.00104.66 C HETATM 3257 C6 FUL D 2 -21.481 45.987 -7.830 1.00104.48 C HETATM 3258 O5 FUL D 2 -22.758 45.637 -5.816 1.00103.93 O
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