Published Histories | ana88 | Docking_Module_Examples
Import history

Galaxy History ' Docking_Module_Examples'


DatasetAnnotation
1: 2vcs.pdb
4,912 lines
format: txt, database: ?
Info: uploaded txt file
HEADER OXIDOREDUCTASE 26-SEP-07 2VCS
TITLE STRUCTURE OF ISONIAZID (INH) BOUND TO CYTOSOLIC SOYBEAN
TITLE 2 ASCORBATE PEROXIDASE MUTANT H42A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ASCORBATE PEROXIDASE;
COMPND 3 CHAIN: A;
2: Ligand.sdf
198 lines
format: txt, database: ?
Info: uploaded txt file
2VCS_ISZ_A_1252
OpenBabel02281722303D
Coordinates from PDB:2VCS:A:1252 Model:1 without hydrogens
15 15 0 0 0 0 0 0 0 0999 V2000
14.3370 56.6410 14.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1820 55.7400 14.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
4: Docking_Result-Advanced-GRID
17,374 lines
format: zip, database: ?
Info: in sdfATOM 307 CA TRP A 41 0.576 1.204 -2.538 1.00 0.00 0.191 C
0.576,1.204,-2.538
dc2/./0000775000076600007660000000000013516570264011246 5
ustar galaxygalaxy
dc2/./complex-dc2-3.pdb0000664000076600007660000037310013516570264014216 0
ustar galaxygalaxy
ATOM 1 N GLY A 2 13.522 -14.853 -4.234 1.00 0.00
ATOM 2 CA GLY A 2 14.182 -14.306 -5.455 1.00 0.00
6: Docking Result with ligand optimization
17,374 lines
format: zip, database: ?
Info: in sdfATOM 307 CA TRP A 41 0.576 1.204 -2.538 1.00 0.00 0.191 C
0.576,1.204,-2.538
dc/./0000775000076600007660000000000013516570514011162 5
ustar galaxygalaxy
dc/./complex-dc-0.pdb0000664000076600007660000037310013516570514014045 0
ustar galaxygalaxy
ATOM 1 N GLY A 2 13.522 -14.853 -4.234 1.00 0.00
ATOM 2 CA GLY A 2 14.182 -14.306 -5.455 1.00 0.00
7: Docking Result without ligand optimization
17,356 lines
format: zip, database: ?
dc3/./0000775000076600007660000000000013516571063011245 5
ustar galaxygalaxy
dc3/./complex-dc3-1.pdb0000664000076600007660000037266413516571063014232 0
ustar galaxygalaxy
ATOM 1 N GLY A 2 13.522 -14.853 -4.234 1.00 0.00
ATOM 2 CA GLY A 2 14.182 -14.306 -5.455 1.00 0.00