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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.
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).
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MODRES 2RJE MLY P 20 LYS N-DIMETHYL-LYSINE LINK C ARG P 19 N MLY P 20 1555 1555 1.33 LINK C MLY P 20 N VAL P 21 1555 1555 1.33 HETATM 7642 N MLY P 20 139.016 61.790 23.736 1.00 28.53 N HETATM 7643 CA MLY P 20 138.982 61.405 25.130 1.00 28.85 C HETATM 7644 CB MLY P 20 138.341 62.523 25.938 1.00 28.46 C HETATM 7645 CG MLY P 20 139.287 63.710 26.138 1.00 26.38 C HETATM 7646 CD MLY P 20 138.530 64.929 26.656 1.00 23.37 C HETATM 7647 CE MLY P 20 139.382 66.139 27.086 1.00 19.70 C HETATM 7648 NZ MLY P 20 138.532 67.365 26.997 1.00 20.93 N HETATM 7649 CH1 MLY P 20 137.525 67.362 28.077 1.00 23.72 C HETATM 7650 CH2 MLY P 20 139.378 68.574 27.144 1.00 23.15 C HETATM 7651 C MLY P 20 138.117 60.163 25.186 1.00 29.27 C HETATM 7652 O MLY P 20 137.026 60.150 24.597 1.00 29.73 O
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