data_DM0
# 
_chem_comp.id                                    DM0 
_chem_comp.name                                  N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C10 H22 N2 O2" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-03-25 
_chem_comp.pdbx_modified_date                    2009-01-07 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        202.294 
_chem_comp.one_letter_code                       K 
_chem_comp.three_letter_code                     DM0 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        132L 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
DM0 OXT  OXT  O 0 1 N Y N -8.277  15.485 47.810 -2.697 -2.242 -0.849 OXT  DM0 1  
DM0 N    N    N 0 1 N N N -9.649  18.097 49.778 -2.294 1.168  0.425  N    DM0 2  
DM0 CA   CA   C 0 1 N N S -8.887  17.726 48.556 -2.137 0.152  -0.625 CA   DM0 3  
DM0 CB   CB   C 0 1 N N N -7.960  18.833 48.055 -0.715 0.214  -1.187 CB   DM0 4  
DM0 CG   CG   C 0 1 N N N -7.182  18.316 46.859 0.291  0.009  -0.053 CG   DM0 5  
DM0 CD   CD   C 0 1 N N N -6.452  19.360 46.027 1.707  -0.032 -0.629 CD   DM0 6  
DM0 CE   CE   C 0 1 N N N -5.602  18.751 44.900 2.714  -0.237 0.505  CE   DM0 7  
DM0 NZ   NZ   N 0 1 N N N -5.025  19.729 43.942 4.074  -0.277 -0.048 NZ   DM0 8  
DM0 CH1  CH1  C 0 1 N N N -3.831  20.358 44.516 4.449  1.025  -0.617 CH1  DM0 9  
DM0 CH2  CH2  C 0 1 N N N -6.071  20.253 43.059 5.043  -0.707 0.968  CH2  DM0 10 
DM0 C    C    C 0 1 N N N -8.095  16.434 48.729 -2.387 -1.215 -0.042 C    DM0 11 
DM0 O    O    O 0 1 N N N -7.335  16.282 49.666 -2.309 -1.387 1.152  O    DM0 12 
DM0 CM1  CM1  C 0 1 N N N -10.688 17.051 50.137 -1.906 2.497  -0.067 CM1  DM0 13 
DM0 CM2  CM2  C 0 1 N N N -10.258 19.415 49.535 -3.668 1.179  0.945  CM2  DM0 14 
DM0 HA   HA   H 0 1 N N N -9.660  17.566 47.790 -2.853 0.342  -1.424 HA   DM0 15 
DM0 HB   HB   H 0 1 N N N -8.555  19.709 47.759 -0.586 -0.568 -1.934 HB   DM0 16 
DM0 HBA  HBA  H 0 1 N N N -7.264  19.127 48.854 -0.549 1.188  -1.648 HBA  DM0 17 
DM0 HG   HG   H 0 1 N N N -6.425  17.615 47.240 0.211  0.832  0.657  HG   DM0 18 
DM0 HGA  HGA  H 0 1 N N N -7.931  17.871 46.187 0.078  -0.931 0.456  HGA  DM0 19 
DM0 HD   HD   H 0 1 N N N -7.202  20.024 45.572 1.787  -0.855 -1.339 HD   DM0 20 
DM0 HDA  HDA  H 0 1 N N N -5.768  19.898 46.700 1.920  0.908  -1.138 HDA  DM0 21 
DM0 HE   HE   H 0 1 N N N -4.766  18.212 45.369 2.634  0.586  1.215  HE   DM0 22 
DM0 HEA  HEA  H 0 1 N N N -6.279  18.110 44.316 2.501  -1.178 1.014  HEA  DM0 23 
DM0 HH1  HH1  H 0 1 N N N -3.083  20.515 43.725 4.411  1.786  0.162  HH1  DM0 24 
DM0 HH1A HH1A H 0 0 N N N -4.104  21.327 44.960 5.460  0.967  -1.019 HH1A DM0 25 
DM0 HH1B HH1B H 0 0 N N N -3.410  19.704 45.294 3.754  1.286  -1.415 HH1B DM0 26 
DM0 HH2  HH2  H 0 1 N N N -7.002  20.384 43.630 4.781  -1.704 1.322  HH2  DM0 27 
DM0 HH2A HH2A H 0 0 N N N -5.753  21.223 42.649 6.042  -0.727 0.532  HH2A DM0 28 
DM0 HH2B HH2B H 0 0 N N N -6.243  19.545 42.235 5.027  -0.008 1.805  HH2B DM0 29 
DM0 HM1  HM1  H 0 1 N N N -10.939 16.461 49.243 -2.536 2.769  -0.914 HM1  DM0 30 
DM0 HM1A HM1A H 0 0 N N N -10.284 16.385 50.914 -2.032 3.230  0.730  HM1A DM0 31 
DM0 HM1B HM1B H 0 0 N N N -11.594 17.549 50.514 -0.863 2.477  -0.382 HM1B DM0 32 
DM0 HM2  HM2  H 0 1 N N N -10.410 19.932 50.494 -3.870 0.238  1.456  HM2  DM0 33 
DM0 HM2A HM2A H 0 0 N N N -9.592  20.015 48.897 -3.783 2.006  1.646  HM2A DM0 34 
DM0 HM2B HM2B H 0 0 N N N -11.227 19.284 49.032 -4.368 1.303  0.119  HM2B DM0 35 
DM0 HXT  HXT  H 0 1 N Y N -7.737  14.732 48.021 -2.849 -3.100 -0.428 HXT  DM0 36 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
DM0 OXT C    SING N N 1  
DM0 N   CA   SING N N 2  
DM0 N   CM1  SING N N 3  
DM0 N   CM2  SING N N 4  
DM0 CA  CB   SING N N 5  
DM0 CA  C    SING N N 6  
DM0 CB  CG   SING N N 7  
DM0 CG  CD   SING N N 8  
DM0 CD  CE   SING N N 9  
DM0 CE  NZ   SING N N 10 
DM0 NZ  CH1  SING N N 11 
DM0 NZ  CH2  SING N N 12 
DM0 C   O    DOUB N N 13 
DM0 CA  HA   SING N N 14 
DM0 CB  HB   SING N N 15 
DM0 CB  HBA  SING N N 16 
DM0 CG  HG   SING N N 17 
DM0 CG  HGA  SING N N 18 
DM0 CD  HD   SING N N 19 
DM0 CD  HDA  SING N N 20 
DM0 CE  HE   SING N N 21 
DM0 CE  HEA  SING N N 22 
DM0 CH1 HH1  SING N N 23 
DM0 CH1 HH1A SING N N 24 
DM0 CH1 HH1B SING N N 25 
DM0 CH2 HH2  SING N N 26 
DM0 CH2 HH2A SING N N 27 
DM0 CH2 HH2B SING N N 28 
DM0 CM1 HM1  SING N N 29 
DM0 CM1 HM1A SING N N 30 
DM0 CM1 HM1B SING N N 31 
DM0 CM2 HM2  SING N N 32 
DM0 CM2 HM2A SING N N 33 
DM0 CM2 HM2B SING N N 34 
DM0 HXT OXT  SING N N 35 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
DM0 SMILES           ACDLabs              10.04 "O=C(O)C(N(C)C)CCCCN(C)C"                                                                         
DM0 InChI            InChI                1.02b "InChI=1/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1/f/h13H" 
DM0 InChIKey         InChI                1.02b HNWHSCYWLXEVJP-IIRYSFAPDH                                                                         
DM0 SMILES_CANONICAL CACTVS               3.341 "CN(C)CCCC[C@H](N(C)C)C(O)=O"                                                                     
DM0 SMILES           CACTVS               3.341 "CN(C)CCCC[CH](N(C)C)C(O)=O"                                                                      
DM0 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CN(C)CCCC[C@@H](C(=O)O)N(C)C"                                                                    
DM0 SMILES           "OpenEye OEToolkits" 1.5.0 "CN(C)CCCCC(C(=O)O)N(C)C"                                                                         
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
DM0 "SYSTEMATIC NAME" ACDLabs              10.04 N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine   
DM0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2,6-bis(dimethylamino)hexanoic acid" 
# 
