data_MYK # _chem_comp.id MYK _chem_comp.name N~6~-tetradecanoyl-L-lysine _chem_comp.type "L-peptide linking" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C20 H40 N2 O3" _chem_comp.mon_nstd_parent_comp_id LYS _chem_comp.pdbx_synonyms "N6-myristoyl lysine" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-10-17 _chem_comp.pdbx_modified_date 2021-03-01 _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 356.543 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MYK _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 3U31 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 MYK OXT OXT O 0 1 N Y N -11.215 32.744 -39.821 11.045 1.345 -0.962 OXT MYK 1 MYK C C C 0 1 N N N -11.947 32.127 -40.737 10.683 0.461 -0.020 C MYK 2 MYK N N N 0 1 N N N -14.357 32.491 -41.184 9.541 -1.575 0.658 N MYK 3 MYK O O O 0 1 N N N -11.488 31.860 -41.850 11.332 0.358 0.994 O MYK 4 MYK CA CA C 0 1 N N S -13.372 31.764 -40.352 9.466 -0.404 -0.226 CA MYK 5 MYK CB CB C 0 1 N N N -13.644 30.249 -40.469 8.207 0.401 0.099 CB MYK 6 MYK CD CD C 0 1 N N N -13.070 27.971 -39.810 5.708 0.370 0.097 CD MYK 7 MYK CE CE C 0 1 N N N -12.197 27.124 -38.923 4.470 -0.465 -0.232 CE MYK 8 MYK CG CG C 0 1 N N N -12.960 29.423 -39.379 6.968 -0.435 -0.229 CG MYK 9 MYK CI CI C 0 1 N N N -10.582 21.651 -38.927 -1.693 0.530 0.188 CI MYK 10 MYK CK CK C 0 1 N N N -9.927 20.596 -39.852 -2.931 -0.306 -0.141 CK MYK 11 MYK CL CL C 0 1 N N N -10.385 19.107 -39.753 -4.191 0.499 0.185 CL MYK 12 MYK CM CM C 0 1 N N N -9.966 18.162 -38.595 -5.430 -0.337 -0.144 CM MYK 13 MYK CP CP C 0 1 N N N -10.645 16.772 -38.609 -6.689 0.468 0.182 CP MYK 14 MYK CQ CQ C 0 1 N N N -12.184 14.134 -36.126 -10.426 -0.398 -0.149 CQ MYK 15 MYK CR CR C 0 1 N N N -11.005 16.144 -37.248 -7.928 -0.367 -0.146 CR MYK 16 MYK CS CS C 0 1 N N N -12.780 12.716 -36.312 -11.686 0.407 0.177 CS MYK 17 MYK CT CT C 0 1 N N N -11.345 22.818 -39.551 -0.433 -0.276 -0.138 CT MYK 18 MYK CU CU C 0 1 N N N -11.520 14.702 -37.392 -9.188 0.438 0.179 CU MYK 19 MYK CV CV C 0 1 N N N -14.168 10.889 -35.171 -14.184 0.377 0.174 CV MYK 20 MYK CW CW C 0 1 N N N -13.351 12.175 -34.985 -12.925 -0.428 -0.152 CW MYK 21 MYK CX CX C 0 1 N N N -12.204 24.779 -38.125 2.046 -0.233 -0.130 CX MYK 22 MYK OX OX O 0 1 N N N -11.890 25.080 -36.969 1.949 -1.356 -0.578 OX MYK 23 MYK CY CY C 0 1 N N N -12.409 23.302 -38.540 0.805 0.560 0.191 CY MYK 24 MYK NZ NZ N 0 1 N N N -12.395 25.696 -39.096 3.263 0.306 0.080 NZ MYK 25 MYK H H H 0 1 N N N -15.283 32.232 -40.908 9.578 -1.294 1.627 HN MYK 26 MYK H2 H2 H 0 1 N Y N -14.235 33.476 -41.060 8.769 -2.203 0.492 HNA MYK 27 MYK HA HA H 0 1 N N N -13.485 32.061 -39.299 9.428 -0.735 -1.264 HA MYK 28 MYK HB HB H 0 1 N N N -14.729 30.088 -40.391 8.202 0.656 1.159 HB MYK 29 MYK HBA HBA H 0 1 N N N -13.269 29.907 -41.445 8.196 1.315 -0.494 HBA MYK 30 MYK HD HD H 0 1 N N N -12.741 27.871 -40.855 5.698 1.285 -0.497 HD MYK 31 MYK HDA HDA H 0 1 N N N -14.115 27.639 -39.723 5.704 0.625 1.156 HDA MYK 32 MYK HE HE H 0 1 N N N -11.147 27.353 -39.159 4.474 -0.720 -1.292 HE MYK 33 MYK HEA HEA H 0 1 N N N -12.428 27.376 -37.877 4.480 -1.379 0.362 HEA MYK 34 MYK HG HG H 0 1 N N N -11.905 29.716 -39.278 6.972 -0.690 -1.289 HG MYK 35 MYK HGA HGA H 0 1 N N N -13.457 29.576 -38.410 6.978 -1.349 0.364 HGA MYK 36 MYK HI HI H 0 1 N N N -11.305 21.108 -38.301 -1.703 1.444 -0.406 HI MYK 37 MYK HIA HIA H 0 1 N N N -9.766 22.094 -38.337 -1.697 0.784 1.247 HIA MYK 38 MYK HK HK H 0 1 N N N -10.136 20.916 -40.883 -2.927 -0.561 -1.201 HK MYK 39 MYK HKA HKA H 0 1 N N N -8.852 20.605 -39.620 -2.921 -1.220 0.453 HKA MYK 40 MYK HL HL H 0 1 N N N -11.483 19.147 -39.707 -4.195 0.754 1.245 HL MYK 41 MYK HLA HLA H 0 1 N N N -10.002 18.628 -40.666 -4.202 1.413 -0.409 HLA MYK 42 MYK HM HM H 0 1 N N N -8.880 18.004 -38.669 -5.425 -0.592 -1.203 HM MYK 43 MYK HMA HMA H 0 1 N N N -10.233 18.655 -37.648 -5.419 -1.251 0.450 HMA MYK 44 MYK HP HP H 0 1 N N N -11.585 16.881 -39.170 -6.694 0.723 1.242 HP MYK 45 MYK HPA HPA H 0 1 N N N -9.948 16.081 -39.106 -6.700 1.382 -0.411 HPA MYK 46 MYK HQ HQ H 0 1 N N N -13.001 14.811 -35.837 -10.416 -1.312 0.445 HQ MYK 47 MYK HQA HQA H 0 1 N N N -11.421 14.081 -35.336 -10.422 -0.653 -1.209 HQA MYK 48 MYK HR HR H 0 1 N N N -10.104 16.133 -36.618 -7.924 -0.622 -1.206 HR MYK 49 MYK HRA HRA H 0 1 N N N -11.792 16.752 -36.779 -7.918 -1.281 0.447 HRA MYK 50 MYK HS HS H 0 1 N N N -13.589 12.764 -37.056 -11.690 0.662 1.236 HS MYK 51 MYK HSA HSA H 0 1 N N N -11.987 12.039 -36.662 -11.696 1.321 -0.417 HSA MYK 52 MYK HT HT H 0 1 N N N -10.649 23.638 -39.781 -0.423 -1.190 0.456 HT MYK 53 MYK HTA HTA H 0 1 N N N -11.835 22.490 -40.480 -0.429 -0.531 -1.198 HTA MYK 54 MYK HU HU H 0 1 N N N -10.661 14.060 -37.639 -9.198 1.352 -0.414 HU MYK 55 MYK HUA HUA H 0 1 N N N -12.267 14.690 -38.199 -9.192 0.693 1.239 HUA MYK 56 MYK HV HV H 0 1 N N N -14.548 10.551 -34.196 -15.067 -0.219 -0.060 HV MYK 57 MYK HVA HVA H 0 1 N N N -15.014 11.087 -35.846 -14.189 0.632 1.234 HVA MYK 58 MYK HVB HVB H 0 1 N N N -13.527 10.107 -35.605 -14.195 1.291 -0.420 HVB MYK 59 MYK HW HW H 0 1 N N N -12.511 11.958 -34.309 -12.920 -0.683 -1.212 HW MYK 60 MYK HWA HWA H 0 1 N N N -14.007 12.943 -34.551 -12.914 -1.343 0.442 HWA MYK 61 MYK HY HY H 0 1 N N N -13.401 23.205 -39.005 0.795 1.474 -0.403 HY MYK 62 MYK HYA HYA H 0 1 N N N -12.344 22.675 -37.639 0.801 0.815 1.250 HYA MYK 63 MYK HNZ HNZ H 0 1 N N N -12.692 25.371 -39.994 3.341 1.204 0.438 HNZ MYK 64 MYK HXT HXT H 0 1 N Y N -10.349 32.918 -40.171 11.833 1.878 -0.784 HXT MYK 65 # # 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 MYK OXT C SING N N 1 MYK C O DOUB N N 2 MYK C CA SING N N 3 MYK N CA SING N N 4 MYK CA CB SING N N 5 MYK CB CG SING N N 6 MYK CD CE SING N N 7 MYK CD CG SING N N 8 MYK CE NZ SING N N 9 MYK CI CK SING N N 10 MYK CI CT SING N N 11 MYK CK CL SING N N 12 MYK CL CM SING N N 13 MYK CM CP SING N N 14 MYK CP CR SING N N 15 MYK CQ CS SING N N 16 MYK CQ CU SING N N 17 MYK CR CU SING N N 18 MYK CS CW SING N N 19 MYK CT CY SING N N 20 MYK CV CW SING N N 21 MYK CX OX DOUB N N 22 MYK CX CY SING N N 23 MYK CX NZ SING N N 24 MYK N H SING N N 25 MYK N H2 SING N N 26 MYK CA HA SING N N 27 MYK CB HB SING N N 28 MYK CB HBA SING N N 29 MYK CD HD SING N N 30 MYK CD HDA SING N N 31 MYK CE HE SING N N 32 MYK CE HEA SING N N 33 MYK CG HG SING N N 34 MYK CG HGA SING N N 35 MYK CI HI SING N N 36 MYK CI HIA SING N N 37 MYK CK HK SING N N 38 MYK CK HKA SING N N 39 MYK CL HL SING N N 40 MYK CL HLA SING N N 41 MYK CM HM SING N N 42 MYK CM HMA SING N N 43 MYK CP HP SING N N 44 MYK CP HPA SING N N 45 MYK CQ HQ SING N N 46 MYK CQ HQA SING N N 47 MYK CR HR SING N N 48 MYK CR HRA SING N N 49 MYK CS HS SING N N 50 MYK CS HSA SING N N 51 MYK CT HT SING N N 52 MYK CT HTA SING N N 53 MYK CU HU SING N N 54 MYK CU HUA SING N N 55 MYK CV HV SING N N 56 MYK CV HVA SING N N 57 MYK CV HVB SING N N 58 MYK CW HW SING N N 59 MYK CW HWA SING N N 60 MYK CY HY SING N N 61 MYK CY HYA SING N N 62 MYK NZ HNZ SING N N 63 MYK OXT HXT SING N N 64 # # 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 MYK SMILES ACDLabs 12.01 "O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC" MYK InChI InChI 1.03 "InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1" MYK InChIKey InChI 1.03 XTLFOGNEQSPWGW-SFHVURJKSA-N MYK SMILES_CANONICAL CACTVS 3.370 "CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(O)=O" MYK SMILES CACTVS 3.370 "CCCCCCCCCCCCCC(=O)NCCCC[CH](N)C(O)=O" MYK SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N" MYK SMILES "OpenEye OEToolkits" 1.7.2 "CCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N" # # 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 MYK "SYSTEMATIC NAME" ACDLabs 12.01 N~6~-tetradecanoyl-L-lysine MYK "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "(2S)-2-azanyl-6-(tetradecanoylamino)hexanoic acid" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site MYK "Create component" 2011-10-17 PDBJ MYK "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id MYK _pdbx_chem_comp_synonyms.name "N6-myristoyl lysine" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##