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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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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This structure was solved By NMR. The PDB records below correspond to the MODEL 1.
REMARK 500 4 MLY B 20 18.51 42.57 MODRES 2LVM MLY B 20 LYS N-DIMETHYL-LYSINE LINK C ARG B 19 N MLY B 20 1555 1555 1.33 LINK C MLY B 20 N VAL B 21 1555 1555 1.33 HETATM 2055 N MLY B 20 -22.758 -19.378 -9.484 1.00 0.00 N HETATM 2056 CA MLY B 20 -23.214 -18.030 -9.173 1.00 0.00 C HETATM 2057 CB MLY B 20 -23.491 -17.924 -7.660 1.00 0.00 C HETATM 2058 CG MLY B 20 -23.626 -16.505 -7.077 1.00 0.00 C HETATM 2059 CD MLY B 20 -22.273 -15.903 -6.649 1.00 0.00 C HETATM 2060 CE MLY B 20 -21.990 -14.579 -7.354 1.00 0.00 C HETATM 2061 NZ MLY B 20 -20.609 -14.072 -7.155 1.00 0.00 N HETATM 2062 CH1 MLY B 20 -20.248 -13.658 -5.777 1.00 0.00 C HETATM 2063 CH2 MLY B 20 -19.511 -14.779 -7.867 1.00 0.00 C HETATM 2064 C MLY B 20 -22.182 -17.052 -9.708 1.00 0.00 C HETATM 2065 O MLY B 20 -21.008 -17.089 -9.355 1.00 0.00 O HETATM 2066 H MLY B 20 -22.380 -19.937 -8.731 1.00 0.00 H HETATM 2067 HA MLY B 20 -24.143 -17.828 -9.714 1.00 0.00 H HETATM 2068 HB2 MLY B 20 -22.716 -18.452 -7.101 1.00 0.00 H HETATM 2069 HB3 MLY B 20 -24.425 -18.451 -7.471 1.00 0.00 H HETATM 2070 HG2 MLY B 20 -24.247 -16.572 -6.182 1.00 0.00 H HETATM 2071 HG3 MLY B 20 -24.161 -15.861 -7.778 1.00 0.00 H HETATM 2072 HD2 MLY B 20 -21.462 -16.606 -6.829 1.00 0.00 H HETATM 2073 HD3 MLY B 20 -22.312 -15.699 -5.583 1.00 0.00 H HETATM 2074 HE2 MLY B 20 -22.696 -13.849 -6.980 1.00 0.00 H HETATM 2075 HE3 MLY B 20 -22.197 -14.667 -8.413 1.00 0.00 H HETATM 2076 HH11 MLY B 20 -19.509 -14.333 -5.350 1.00 0.00 H HETATM 2077 HH12 MLY B 20 -19.821 -12.660 -5.813 1.00 0.00 H HETATM 2078 HH13 MLY B 20 -21.117 -13.629 -5.120 1.00 0.00 H HETATM 2079 HH21 MLY B 20 -18.581 -14.223 -7.745 1.00 0.00 H HETATM 2080 HH22 MLY B 20 -19.373 -15.787 -7.475 1.00 0.00 H HETATM 2081 HH23 MLY B 20 -19.711 -14.844 -8.939 1.00 0.00 H HETATM 2082 HZ MLY B 20 -20.681 -13.171 -7.680 1.00 0.00 H
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