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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 1 ALY B 20 -93.74 -53.24 MODRES 2RNY ALY B 20 LYS N(6)-ACETYLLYSINE LINK C ARG B 19 N ALY B 20 1555 1555 1.33 LINK C ALY B 20 N VAL B 21 1555 1555 1.32 HETATM 2138 OH ALY B 20 -11.389 3.359 -3.413 1.00 0.00 O HETATM 2139 CH ALY B 20 -10.658 2.469 -3.847 1.00 0.00 C HETATM 2140 CH3 ALY B 20 -9.228 2.353 -3.307 1.00 0.00 C HETATM 2141 NZ ALY B 20 -11.057 1.631 -4.798 1.00 0.00 N HETATM 2142 CE ALY B 20 -10.279 1.344 -5.999 1.00 0.00 C HETATM 2143 CD ALY B 20 -11.022 0.439 -6.962 1.00 0.00 C HETATM 2144 CG ALY B 20 -11.495 -0.829 -6.276 1.00 0.00 C HETATM 2145 CB ALY B 20 -12.956 -0.752 -5.894 1.00 0.00 C HETATM 2146 CA ALY B 20 -13.933 -0.686 -7.085 1.00 0.00 C HETATM 2147 N ALY B 20 -15.008 0.245 -6.751 1.00 0.00 N HETATM 2148 C ALY B 20 -14.529 -2.056 -7.398 1.00 0.00 C HETATM 2149 O ALY B 20 -14.915 -2.338 -8.533 1.00 0.00 O HETATM 2150 HH31 ALY B 20 -9.132 2.949 -2.411 1.00 0.00 H HETATM 2151 HH32 ALY B 20 -9.014 1.320 -3.078 1.00 0.00 H HETATM 2152 HH33 ALY B 20 -8.532 2.708 -4.052 1.00 0.00 H HETATM 2153 HZ ALY B 20 -11.925 1.187 -4.702 1.00 0.00 H HETATM 2154 HE3 ALY B 20 -10.059 2.271 -6.500 1.00 0.00 H HETATM 2155 HE2 ALY B 20 -9.358 0.865 -5.713 1.00 0.00 H HETATM 2156 HD3 ALY B 20 -11.879 0.967 -7.351 1.00 0.00 H HETATM 2157 HD2 ALY B 20 -10.361 0.172 -7.772 1.00 0.00 H HETATM 2158 HG3 ALY B 20 -11.360 -1.657 -6.944 1.00 0.00 H HETATM 2159 HG2 ALY B 20 -10.909 -0.978 -5.372 1.00 0.00 H HETATM 2160 HB3 ALY B 20 -13.188 -1.618 -5.292 1.00 0.00 H HETATM 2161 HB2 ALY B 20 -13.094 0.132 -5.291 1.00 0.00 H HETATM 2162 HA ALY B 20 -13.416 -0.313 -7.957 1.00 0.00 H HETATM 2163 H ALY B 20 -14.953 0.736 -5.907 1.00 0.00 H
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