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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3F9X MLY H 20 LYS N-DIMETHYL-LYSINE SHEET 4 O 4 MLY H 20 VAL H 21 1 O MLY H 20 N TYR D 274 LINK C ARG H 19 N MLY H 20 1555 1555 1.33 LINK C MLY H 20 N VAL H 21 1555 1555 1.33 SITE 5 AC4 19 ARG E 23 HIS H 18 MLY H 20 HETATM 5410 N MLY H 20 -2.704 26.811 -55.298 1.00 14.56 N ANISOU 5410 N MLY H 20 1620 1737 2177 33 -265 80 N HETATM 5411 CA MLY H 20 -1.901 25.600 -55.518 1.00 15.18 C ANISOU 5411 CA MLY H 20 1717 1944 2106 -91 -168 88 C HETATM 5412 CB MLY H 20 -1.095 25.799 -56.813 1.00 15.43 C ANISOU 5412 CB MLY H 20 1735 2107 2020 43 -164 -38 C HETATM 5413 CG MLY H 20 -2.005 25.970 -58.042 1.00 18.94 C ANISOU 5413 CG MLY H 20 2107 2860 2231 -291 -229 -126 C HETATM 5414 CD MLY H 20 -1.306 26.285 -59.385 1.00 19.15 C ANISOU 5414 CD MLY H 20 2425 2533 2317 -398 -255 0 C HETATM 5415 CE MLY H 20 -2.290 26.794 -60.482 1.00 19.65 C ANISOU 5415 CE MLY H 20 2859 2349 2259 -139 -84 58 C HETATM 5416 NZ MLY H 20 -1.757 26.953 -61.896 1.00 20.19 N ANISOU 5416 NZ MLY H 20 2703 2472 2497 -128 506 -23 N HETATM 5417 CH1 MLY H 20 -0.992 28.143 -62.446 1.00 15.41 C ANISOU 5417 CH1 MLY H 20 1705 1902 2249 -289 -673 213 C HETATM 5418 CH2 MLY H 20 -1.020 25.698 -62.178 1.00 22.29 C ANISOU 5418 CH2 MLY H 20 3136 2983 2350 188 771 -270 C HETATM 5419 C MLY H 20 -1.048 25.434 -54.298 1.00 15.60 C ANISOU 5419 C MLY H 20 1576 2012 2340 -80 -184 122 C HETATM 5420 O MLY H 20 -0.544 26.435 -53.731 1.00 16.24 O ANISOU 5420 O MLY H 20 1314 2041 2815 -53 -382 54 O
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