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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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).
|
This structure was solved By NMR. The PDB records below correspond to the MODEL 1.
MODRES 2RS9 ALY A 5 LYS N(6)-ACETYLLYSINE LINK C GLY A 4 N ALY A 5 1555 1555 1.34 LINK C ALY A 5 N GLY A 6 1555 1555 1.34 HETATM 52 OH ALY A 5 12.157 -1.503 8.288 1.00 0.00 O HETATM 53 CH ALY A 5 11.398 -0.587 7.990 1.00 0.00 C HETATM 54 CH3 ALY A 5 10.109 -0.913 7.273 1.00 0.00 C HETATM 55 NZ ALY A 5 11.597 0.713 8.240 1.00 0.00 N HETATM 56 CE ALY A 5 12.694 1.436 8.917 1.00 0.00 C HETATM 57 CD ALY A 5 13.751 0.572 9.633 1.00 0.00 C HETATM 58 CG ALY A 5 14.819 0.028 8.667 1.00 0.00 C HETATM 59 CB ALY A 5 15.557 -1.190 9.240 1.00 0.00 C HETATM 60 CA ALY A 5 16.394 -1.896 8.148 1.00 0.00 C HETATM 61 N ALY A 5 16.270 -3.359 8.327 1.00 0.00 N HETATM 62 C ALY A 5 17.862 -1.424 8.017 1.00 0.00 C HETATM 63 O ALY A 5 18.236 -0.336 8.462 1.00 0.00 O HETATM 64 HH31 ALY A 5 10.070 -0.378 6.327 1.00 0.00 H HETATM 65 HH32 ALY A 5 10.065 -1.987 7.085 1.00 0.00 H HETATM 66 HH33 ALY A 5 9.263 -0.625 7.896 1.00 0.00 H HETATM 67 HZ ALY A 5 10.845 1.305 7.917 1.00 0.00 H HETATM 68 HE3 ALY A 5 13.195 2.087 8.196 1.00 0.00 H HETATM 69 HE2 ALY A 5 12.240 2.084 9.669 1.00 0.00 H HETATM 70 HD3 ALY A 5 14.259 1.191 10.374 1.00 0.00 H HETATM 71 HD2 ALY A 5 13.256 -0.234 10.174 1.00 0.00 H HETATM 72 HG3 ALY A 5 14.340 -0.253 7.729 1.00 0.00 H HETATM 73 HG2 ALY A 5 15.544 0.810 8.452 1.00 0.00 H HETATM 74 HB3 ALY A 5 16.185 -0.895 10.082 1.00 0.00 H HETATM 75 HB2 ALY A 5 14.803 -1.886 9.611 1.00 0.00 H HETATM 76 HA ALY A 5 15.948 -1.628 7.186 1.00 0.00 H HETATM 77 H ALY A 5 15.604 -3.841 7.739 1.00 0.00 H
|
|