data_I1W
# 
_chem_comp.id                                    I1W 
_chem_comp.name                                  "(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H48 N6 O5 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-01-06 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        640.836 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     I1W 
_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        7TDU 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
I1W C2  C1  C 0 1 N N S N N N 14.389 3.031  -16.174 -4.139  -1.259 -0.728 C2  I1W 1  
I1W C3  C2  C 0 1 Y N N N N N 15.261 3.680  -17.275 -5.379  -0.754 -0.038 C3  I1W 2  
I1W C5  C3  C 0 1 Y N N N N N 15.887 4.348  -19.295 -6.926  -0.640 1.591  C5  I1W 3  
I1W C6  C4  C 0 1 Y N N N N N 15.815 4.569  -20.715 -7.606  -0.923 2.793  C6  I1W 4  
I1W C8  C5  C 0 1 Y N N N N N 18.039 5.647  -20.634 -9.260  0.722  2.270  C8  I1W 5  
I1W C9  C6  C 0 1 Y N N N N N 18.130 5.437  -19.234 -8.617  1.020  1.089  C9  I1W 6  
I1W C10 C7  C 0 1 Y N N N N N 17.039 4.790  -18.573 -7.450  0.343  0.743  C10 I1W 7  
I1W C18 C8  C 0 1 N N S N N N 14.319 1.512  -16.475 -3.021  -0.223 -0.591 C18 I1W 8  
I1W C19 C9  C 0 1 N N N N N N 13.427 0.691  -15.543 -3.412  1.051  -1.343 C19 I1W 9  
I1W C31 C10 C 0 1 N N S N N N 17.204 -3.530 -18.584 3.776   0.114  0.762  C31 I1W 10 
I1W C33 C11 C 0 1 N N N N N N 14.758 -4.463 -18.289 2.164   0.420  2.646  C33 I1W 11 
I1W C34 C12 C 0 1 N N N N N N 15.234 -2.696 -19.978 4.560   1.068  2.934  C34 I1W 12 
I1W C37 C13 C 0 1 N N N N N N 19.149 -4.955 -17.963 6.176   0.439  0.495  C37 I1W 13 
I1W C39 C14 C 0 1 N N N N N N 20.993 -6.401 -16.852 8.593   0.695  0.323  C39 I1W 14 
I1W C40 C15 C 0 1 N N N N N N 21.272 -7.352 -18.024 8.851   -0.812 0.267  C40 I1W 15 
I1W C41 C16 C 0 1 N N N N N N 20.981 -7.162 -15.525 8.747   1.186  1.764  C41 I1W 16 
I1W C42 C17 C 0 1 N N N N N N 22.098 -5.322 -16.775 9.600   1.419  -0.573 C42 I1W 17 
I1W O1  O1  O 0 1 N N N N N N 13.112 3.621  -16.195 -4.419  -1.478 -2.112 O1  I1W 18 
I1W N4  N1  N 0 1 Y N N N N N 14.919 3.732  -18.516 -5.800  -1.184 1.091  N4  I1W 19 
I1W C7  C18 C 0 1 Y N N N N N 16.893 5.219  -21.371 -8.746  -0.251 3.115  C7  I1W 20 
I1W S11 S1  S 0 1 Y N N N N N 16.836 4.381  -16.872 -6.394  0.468  -0.660 S11 I1W 21 
I1W C20 C19 C 0 1 N N S N N N 13.173 -0.728 -15.984 -2.375  2.142  -1.070 C20 I1W 22 
I1W C21 C20 C 0 1 N N N N N N 12.182 -0.915 -17.139 -2.924  3.526  -1.487 C21 I1W 23 
I1W C22 C21 C 0 1 N N N N N N 11.576 -2.290 -16.899 -1.657  4.213  -2.044 C22 I1W 24 
I1W N23 N2  N 0 1 N N N N N N 11.746 -2.463 -15.466 -0.780  3.120  -2.482 N23 I1W 25 
I1W C24 C22 C 0 1 N N N N N N 12.610 -1.614 -14.900 -1.157  1.946  -1.946 C24 I1W 26 
I1W O25 O2  O 0 1 N N N N N N 12.883 -1.583 -13.708 -0.601  0.885  -2.136 O25 I1W 27 
I1W N26 N3  N 0 1 N N N N N N 15.655 0.940  -16.418 -1.782  -0.764 -1.157 N26 I1W 28 
I1W C27 C23 C 0 1 N N N N N N 16.439 0.582  -17.457 -0.686  -0.889 -0.383 C27 I1W 29 
I1W C28 C24 C 0 1 N N S N N N 17.845 0.037  -17.230 0.616   -1.344 -0.989 C28 I1W 30 
I1W N29 N4  N 0 1 N N N N N N 17.980 -1.240 -17.957 1.747   -1.016 -0.090 N29 I1W 31 
I1W C30 C25 C 0 1 N N N N N N 17.208 -2.320 -17.634 2.610   0.014  -0.188 C30 I1W 32 
I1W C32 C26 C 0 1 N N N N N N 15.810 -3.925 -19.259 3.393   1.004  1.946  C32 I1W 33 
I1W C35 C27 C 0 1 N N N N N N 16.086 -4.990 -20.325 3.073   2.413  1.443  C35 I1W 34 
I1W N36 N5  N 0 1 N N N N N N 17.826 -4.574 -17.761 4.925   0.697  0.065  N36 I1W 35 
I1W N38 N6  N 0 1 N N N N N N 19.620 -5.795 -16.991 7.233   0.975  -0.146 N38 I1W 36 
I1W O43 O3  O 0 1 N N N N N N 19.821 -4.545 -18.946 6.350   -0.277 1.463  O43 I1W 37 
I1W O44 O4  O 0 1 N N N N N N 16.493 -2.339 -16.605 2.449   0.861  -1.042 O44 I1W 38 
I1W C45 C28 C 0 1 N N N N N N 19.002 -1.167 -19.018 1.713   -2.078 0.943  C45 I1W 39 
I1W C46 C29 C 0 1 N N S N N N 19.589 0.231  -18.961 1.370   -3.367 0.166  C46 I1W 40 
I1W C47 C30 C 0 1 N N N N N N 21.294 1.881  -17.978 2.040   -4.996 -1.767 C47 I1W 41 
I1W C48 C31 C 0 1 N N N N N N 20.984 -0.323 -16.733 3.215   -2.699 -1.563 C48 I1W 42 
I1W C49 C32 C 0 1 N N R N N N 18.895 0.988  -17.860 0.647   -2.883 -1.108 C49 I1W 43 
I1W O50 O5  O 0 1 N N N N N N 15.995 0.674  -18.606 -0.748  -0.637 0.802  O50 I1W 44 
I1W C1B C33 C 0 1 N N N N N N 20.401 0.672  -17.745 2.009   -3.572 -1.209 C1B I1W 45 
I1W H1  H1  H 0 1 N N N N N N 14.875 3.180  -15.199 -3.823  -2.197 -0.269 H1  I1W 46 
I1W H53 H2  H 0 1 N N N N N N 14.951 4.244  -21.275 -7.220  -1.678 3.462  H53 I1W 47 
I1W H55 H3  H 0 1 N N N N N N 18.850 6.139  -21.151 -10.164 1.247  2.539  H55 I1W 48 
I1W H56 H4  H 0 1 N N N N N N 19.001 5.757  -18.681 -9.017  1.777  0.432  H56 I1W 49 
I1W H61 H5  H 0 1 N N N N N N 13.930 1.396  -17.498 -2.868  0.009  0.463  H61 I1W 50 
I1W H63 H6  H 0 1 N N N N N N 13.906 0.659  -14.553 -3.449  0.845  -2.412 H63 I1W 51 
I1W H62 H7  H 0 1 N N N N N N 12.456 1.202  -15.464 -4.391  1.387  -1.003 H62 I1W 52 
I1W H72 H8  H 0 1 N N N N N N 17.893 -3.295 -19.409 4.036   -0.881 1.123  H72 I1W 53 
I1W H75 H9  H 0 1 N N N N N N 13.839 -4.706 -18.842 2.392   -0.584 3.003  H75 I1W 54 
I1W H74 H10 H 0 1 N N N N N N 15.141 -5.370 -17.799 1.893   1.053  3.491  H74 I1W 55 
I1W H73 H11 H 0 1 N N N N N N 14.537 -3.700 -17.528 1.333   0.376  1.943  H73 I1W 56 
I1W H78 H12 H 0 1 N N N N N N 14.274 -2.960 -20.445 5.436   1.483  2.435  H78 I1W 57 
I1W H76 H13 H 0 1 N N N N N N 15.077 -1.886 -19.251 4.288   1.701  3.778  H76 I1W 58 
I1W H77 H14 H 0 1 N N N N N N 15.939 -2.361 -20.753 4.789   0.064  3.292  H77 I1W 59 
I1W H86 H15 H 0 1 N N N N N N 21.276 -6.783 -18.966 8.134   -1.327 0.905  H86 I1W 60 
I1W H84 H16 H 0 1 N N N N N N 22.252 -7.832 -17.882 8.742   -1.161 -0.760 H84 I1W 61 
I1W H85 H17 H 0 1 N N N N N N 20.489 -8.123 -18.065 9.863   -1.020 0.615  H85 I1W 62 
I1W H87 H18 H 0 1 N N N N N N 20.780 -6.461 -14.702 9.759   0.978  2.112  H87 I1W 63 
I1W H89 H19 H 0 1 N N N N N N 20.196 -7.932 -15.551 8.563   2.259  1.804  H89 I1W 64 
I1W H88 H20 H 0 1 N N N N N N 21.959 -7.641 -15.368 8.030   0.670  2.402  H88 I1W 65 
I1W H92 H21 H 0 1 N N N N N N 21.892 -4.644 -15.933 9.490   1.070  -1.600 H92 I1W 66 
I1W H91 H22 H 0 1 N N N N N N 23.074 -5.807 -16.625 9.416   2.493  -0.533 H91 I1W 67 
I1W H90 H23 H 0 1 N N N N N N 22.115 -4.747 -17.713 10.612  1.211  -0.225 H90 I1W 68 
I1W H2  H24 H 0 1 N N N N N N 12.570 3.228  -15.521 -4.706  -0.684 -2.585 H2  I1W 69 
I1W H54 H25 H 0 1 N N N N N N 16.846 5.391  -22.436 -9.257  -0.479 4.039  H54 I1W 70 
I1W H64 H26 H 0 1 N N N N N N 14.135 -1.157 -16.302 -2.093  2.145  -0.017 H64 I1W 71 
I1W H66 H27 H 0 1 N N N N N N 11.404 -0.137 -17.114 -3.686  3.427  -2.260 H66 I1W 72 
I1W H65 H28 H 0 1 N N N N N N 12.702 -0.883 -18.108 -3.313  4.068  -0.625 H65 I1W 73 
I1W H67 H29 H 0 1 N N N N N N 10.512 -2.310 -17.178 -1.914  4.851  -2.889 H67 I1W 74 
I1W H68 H30 H 0 1 N N N N N N 12.117 -3.066 -17.460 -1.170  4.797  -1.263 H68 I1W 75 
I1W H69 H31 H 0 1 N N N N N N 11.256 -3.162 -14.945 -0.026  3.230  -3.082 D69 I1W 76 
I1W H70 H32 H 0 1 N N N N N N 16.036 0.795  -15.505 -1.751  -1.031 -2.089 D70 I1W 77 
I1W H71 H33 H 0 1 N N N N N N 18.042 -0.091 -16.155 0.762   -0.882 -1.966 H71 I1W 78 
I1W H81 H34 H 0 1 N N N N N N 15.141 -5.281 -20.807 2.177   2.382  0.824  H81 I1W 79 
I1W H80 H35 H 0 1 N N N N N N 16.773 -4.582 -21.081 2.904   3.072  2.295  H80 I1W 80 
I1W H79 H36 H 0 1 N N N N N N 16.543 -5.872 -19.852 3.910   2.787  0.854  H79 I1W 81 
I1W H82 H37 H 0 1 N N N N N N 17.290 -5.019 -17.043 4.786   1.268  -0.707 D82 I1W 82 
I1W H83 H38 H 0 1 N N N N N N 18.965 -6.040 -16.276 7.094   1.546  -0.917 D83 I1W 83 
I1W H94 H39 H 0 1 N N N N N N 19.788 -1.916 -18.840 2.687   -2.172 1.424  H94 I1W 84 
I1W H93 H40 H 0 1 N N N N N N 18.542 -1.345 -20.001 0.942   -1.864 1.683  H93 I1W 85 
I1W H52 H41 H 0 1 N N N N N N 19.771 0.752  -19.913 1.014   -4.223 0.739  H52 I1W 86 
I1W H97 H42 H 0 1 N N N N N N 21.835 2.122  -17.051 1.443   -5.649 -1.130 H97 I1W 87 
I1W H95 H43 H 0 1 N N N N N N 22.016 1.655  -18.776 1.629   -4.999 -2.777 H95 I1W 88 
I1W H96 H44 H 0 1 N N N N N N 20.676 2.741  -18.275 3.069   -5.354 -1.792 H96 I1W 89 
I1W H98 H45 H 0 1 N N N N N N 21.526 0.226  -15.949 4.110   -3.319 -1.611 H98 I1W 90 
I1W H99 H46 H 0 1 N N N N N N 20.168 -0.903 -16.277 3.049   -2.225 -2.531 H99 I1W 91 
I1W H10 H47 H 0 1 N N N N N N 21.676 -1.006 -17.247 3.345   -1.931 -0.800 H10 I1W 92 
I1W H51 H48 H 0 1 N N N N N N 18.599 2.032  -18.041 -0.249  -3.378 -1.484 H51 I1W 93 
# 
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 
I1W C2  C3  SING N N 1  
I1W C2  C18 SING N N 2  
I1W C2  O1  SING N N 3  
I1W C3  N4  DOUB Y N 4  
I1W C3  S11 SING Y N 5  
I1W C5  C6  DOUB Y N 6  
I1W C5  C10 SING Y N 7  
I1W C5  N4  SING Y N 8  
I1W C6  C7  SING Y N 9  
I1W C8  C9  SING Y N 10 
I1W C8  C7  DOUB Y N 11 
I1W C9  C10 DOUB Y N 12 
I1W C10 S11 SING Y N 13 
I1W C18 C19 SING N N 14 
I1W C18 N26 SING N N 15 
I1W C19 C20 SING N N 16 
I1W C31 C30 SING N N 17 
I1W C31 C32 SING N N 18 
I1W C31 N36 SING N N 19 
I1W C33 C32 SING N N 20 
I1W C34 C32 SING N N 21 
I1W C37 N36 SING N N 22 
I1W C37 N38 SING N N 23 
I1W C37 O43 DOUB N N 24 
I1W C39 C40 SING N N 25 
I1W C39 C41 SING N N 26 
I1W C39 C42 SING N N 27 
I1W C39 N38 SING N N 28 
I1W C20 C21 SING N N 29 
I1W C20 C24 SING N N 30 
I1W C21 C22 SING N N 31 
I1W C22 N23 SING N N 32 
I1W N23 C24 SING N N 33 
I1W C24 O25 DOUB N N 34 
I1W N26 C27 SING N N 35 
I1W C27 C28 SING N N 36 
I1W C27 O50 DOUB N N 37 
I1W C28 N29 SING N N 38 
I1W C28 C49 SING N N 39 
I1W N29 C30 SING N N 40 
I1W N29 C45 SING N N 41 
I1W C30 O44 DOUB N N 42 
I1W C32 C35 SING N N 43 
I1W C45 C46 SING N N 44 
I1W C46 C49 SING N N 45 
I1W C46 C1B SING N N 46 
I1W C47 C1B SING N N 47 
I1W C48 C1B SING N N 48 
I1W C49 C1B SING N N 49 
I1W C2  H1  SING N N 50 
I1W C6  H53 SING N N 51 
I1W C8  H55 SING N N 52 
I1W C9  H56 SING N N 53 
I1W C18 H61 SING N N 54 
I1W C19 H63 SING N N 55 
I1W C19 H62 SING N N 56 
I1W C31 H72 SING N N 57 
I1W C33 H75 SING N N 58 
I1W C33 H74 SING N N 59 
I1W C33 H73 SING N N 60 
I1W C34 H78 SING N N 61 
I1W C34 H76 SING N N 62 
I1W C34 H77 SING N N 63 
I1W C40 H86 SING N N 64 
I1W C40 H84 SING N N 65 
I1W C40 H85 SING N N 66 
I1W C41 H87 SING N N 67 
I1W C41 H89 SING N N 68 
I1W C41 H88 SING N N 69 
I1W C42 H92 SING N N 70 
I1W C42 H91 SING N N 71 
I1W C42 H90 SING N N 72 
I1W O1  H2  SING N N 73 
I1W C7  H54 SING N N 74 
I1W C20 H64 SING N N 75 
I1W C21 H66 SING N N 76 
I1W C21 H65 SING N N 77 
I1W C22 H67 SING N N 78 
I1W C22 H68 SING N N 79 
I1W N23 H69 SING N N 80 
I1W N26 H70 SING N N 81 
I1W C28 H71 SING N N 82 
I1W C35 H81 SING N N 83 
I1W C35 H80 SING N N 84 
I1W C35 H79 SING N N 85 
I1W N36 H82 SING N N 86 
I1W N38 H83 SING N N 87 
I1W C45 H94 SING N N 88 
I1W C45 H93 SING N N 89 
I1W C46 H52 SING N N 90 
I1W C47 H97 SING N N 91 
I1W C47 H95 SING N N 92 
I1W C47 H96 SING N N 93 
I1W C48 H98 SING N N 94 
I1W C48 H99 SING N N 95 
I1W C48 H10 SING N N 96 
I1W C49 H51 SING N N 97 
# 
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 
I1W SMILES           ACDLabs              12.01 "CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C"                                                                                                                                                                        
I1W InChI            InChI                1.03  "InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4" 
I1W InChIKey         InChI                1.03  ARSJHDLARMCGPB-GBACRSPZSA-N                                                                                                                                                                                                                                                          
I1W SMILES_CANONICAL CACTVS               3.385 "CC(C)(C)N(C(=O)N([C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N([C@@H](C[C@@H]3CCN(C3=O)[2H])[C@H](O)c4sc5ccccc5n4)[2H])C2(C)C)C(C)(C)C)[2H])[2H]"                                                                                                                                         
I1W SMILES           CACTVS               3.385 "CC(C)(C)N(C(=O)N([CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N([CH](C[CH]3CCN(C3=O)[2H])[CH](O)c4sc5ccccc5n4)[2H])C2(C)C)C(C)(C)C)[2H])[2H]"                                                                                                                                                   
I1W SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C"                                                                                                                                                              
I1W SMILES           "OpenEye OEToolkits" 2.0.7 "CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(c4nc5ccccc5s4)O)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 
I1W "SYSTEMATIC NAME" ACDLabs              12.01 "(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide"                          
I1W "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(1~{R},2~{S},5~{S})-~{N}-[(1~{S},2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
I1W "Create component" 2022-01-06 RCSB 
I1W "Initial release"  2022-03-02 RCSB 
I1W "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            I1W 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C2 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
