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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 2BQZ MLZ F 20 LYS N-METHYL-LYSINE LINK C ARG F 19 N MLZ F 20 1555 1555 1.31 LINK C MLZ F 20 N VAL F 21 1555 1555 1.39 SITE 5 AC2 20 HOH E2247 HOH E2248 HIS F 18 MLZ F 20 HETATM 2713 N MLZ F 20 7.775 31.394 25.461 1.00 5.97 N ANISOU 2713 N MLZ F 20 728 772 769 -23 8 -6 N HETATM 2714 CA MLZ F 20 8.240 30.027 25.412 1.00 5.67 C ANISOU 2714 CA MLZ F 20 715 754 683 -12 -2 -50 C HETATM 2715 CB MLZ F 20 9.159 29.785 24.229 1.00 6.32 C ANISOU 2715 CB MLZ F 20 763 830 804 31 31 -50 C HETATM 2716 CG MLZ F 20 8.449 30.058 22.908 1.00 7.42 C ANISOU 2716 CG MLZ F 20 1009 863 945 -41 -119 -65 C HETATM 2717 CD MLZ F 20 9.409 30.028 21.714 1.00 9.80 C ANISOU 2717 CD MLZ F 20 1194 1277 1249 -13 -90 -86 C HETATM 2718 CE MLZ F 20 8.664 30.604 20.512 1.00 11.08 C ANISOU 2718 CE MLZ F 20 1391 1579 1240 50 -94 -38 C HETATM 2719 NZ MLZ F 20 9.438 31.092 19.422 1.00 13.83 N ANISOU 2719 NZ MLZ F 20 1554 1825 1874 -98 -134 135 N HETATM 2720 CM MLZ F 20 8.787 31.732 18.306 1.00 12.90 C ANISOU 2720 CM MLZ F 20 1621 1680 1598 -89 -39 43 C HETATM 2721 C MLZ F 20 8.981 29.774 26.682 1.00 5.95 C ANISOU 2721 C MLZ F 20 677 818 763 28 23 -32 C HETATM 2722 O MLZ F 20 9.604 30.663 27.217 1.00 6.19 O ANISOU 2722 O MLZ F 20 746 772 833 -22 -27 12 O
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