NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
515563 | 1lud | 5396 | cing | 2-parsed | STAR | distance | hydrogen bond | ambi | 64 |
data_1lud_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1lud _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1lud 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1lud _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1lud "Master copy" parsed_1lud stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1lud _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1lud.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 2 distance NOE simple 2445 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 3 distance NOE ambi 85 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 132 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 5 distance "hydrogen bond" ambi 64 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 9 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1lud 1 1 1lud.mr . . XPLOR/CNS 10 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1lud 1 1 1lud.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lud 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1lud _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1lud 1 2 1 . . . parsed_1lud 1 3 1 . . . parsed_1lud 1 4 1 . . . parsed_1lud 1 5 1 . . . parsed_1lud 1 6 1 . . . parsed_1lud 1 7 1 . . . parsed_1lud 1 8 1 . . . parsed_1lud 1 9 1 . . . parsed_1lud 1 10 1 . . . parsed_1lud 1 11 1 . . . parsed_1lud 1 12 1 . . . parsed_1lud 1 13 1 . . . parsed_1lud 1 14 1 . . . parsed_1lud 1 15 1 . . . parsed_1lud 1 16 1 . . . parsed_1lud 1 17 1 . . . parsed_1lud 1 18 1 . . . parsed_1lud 1 19 1 . . . parsed_1lud 1 20 1 . . . parsed_1lud 1 21 1 . . . parsed_1lud 1 22 1 . . . parsed_1lud 1 23 1 . . . parsed_1lud 1 24 1 . . . parsed_1lud 1 25 1 . . . parsed_1lud 1 26 1 . . . parsed_1lud 1 27 1 . . . parsed_1lud 1 28 1 . . . parsed_1lud 1 29 1 . . . parsed_1lud 1 30 1 . . . parsed_1lud 1 31 1 . . . parsed_1lud 1 32 1 . . . parsed_1lud 1 33 1 . . . parsed_1lud 1 34 1 . . . parsed_1lud 1 35 1 . . . parsed_1lud 1 36 1 . . . parsed_1lud 1 37 1 . . . parsed_1lud 1 38 1 . . . parsed_1lud 1 39 1 . . . parsed_1lud 1 40 1 . . . parsed_1lud 1 41 1 . . . parsed_1lud 1 42 1 . . . parsed_1lud 1 43 1 . . . parsed_1lud 1 44 1 . . . parsed_1lud 1 45 1 . . . parsed_1lud 1 46 1 . . . parsed_1lud 1 47 1 . . . parsed_1lud 1 48 1 . . . parsed_1lud 1 49 1 . . . parsed_1lud 1 50 1 . . . parsed_1lud 1 51 1 . . . parsed_1lud 1 52 1 . . . parsed_1lud 1 53 1 . . . parsed_1lud 1 54 1 . . . parsed_1lud 1 55 1 . . . parsed_1lud 1 56 1 . . . parsed_1lud 1 57 1 . . . parsed_1lud 1 58 1 . . . parsed_1lud 1 59 1 . . . parsed_1lud 1 60 1 . . . parsed_1lud 1 61 1 . . . parsed_1lud 1 62 1 . . . parsed_1lud 1 63 1 . . . parsed_1lud 1 64 1 . . . parsed_1lud 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 8 . hn parsed_1lud 1 1 1 2 . . . . . . . . . 12 . o parsed_1lud 1 2 1 1 . . . . . . . . . 8 . n parsed_1lud 1 2 1 2 . . . . . . . . . 12 . o parsed_1lud 1 3 1 1 . . . . . . . . . 9 . hn parsed_1lud 1 3 1 2 . . . . . . . . . 118 . o parsed_1lud 1 3 1 2 . . . . . . . . . 120 . o parsed_1lud 1 4 1 1 . . . . . . . . . 9 . n parsed_1lud 1 4 1 2 . . . . . . . . . 118 . o parsed_1lud 1 4 1 2 . . . . . . . . . 120 . o parsed_1lud 1 5 1 1 . . . . . . . . . 11 . hn parsed_1lud 1 5 1 2 . . . . . . . . . 8 . o parsed_1lud 1 6 1 1 . . . . . . . . . 11 . n parsed_1lud 1 6 1 2 . . . . . . . . . 8 . o parsed_1lud 1 7 1 1 . . . . . . . . . 12 . hn parsed_1lud 1 7 1 2 . . . . . . . . . 8 . od* parsed_1lud 1 8 1 1 . . . . . . . . . 12 . n parsed_1lud 1 8 1 2 . . . . . . . . . 8 . od* parsed_1lud 1 9 1 1 . . . . . . . . . 13 . hn parsed_1lud 1 9 1 2 . . . . . . . . . 126 . o parsed_1lud 1 10 1 1 . . . . . . . . . 13 . n parsed_1lud 1 10 1 2 . . . . . . . . . 126 . o parsed_1lud 1 11 1 1 . . . . . . . . . 14 . hn parsed_1lud 1 11 1 2 . . . . . . . . . 126 . o parsed_1lud 1 12 1 1 . . . . . . . . . 14 . n parsed_1lud 1 12 1 2 . . . . . . . . . 126 . o parsed_1lud 1 13 1 1 . . . . . . . . . 15 . hn parsed_1lud 1 13 1 2 . . . . . . . . . 18 . o parsed_1lud 1 14 1 1 . . . . . . . . . 15 . n parsed_1lud 1 14 1 2 . . . . . . . . . 18 . o parsed_1lud 1 15 1 1 . . . . . . . . . 34 . hn parsed_1lud 1 15 1 2 . . . . . . . . . 31 . o parsed_1lud 1 15 1 2 . . . . . . . . . 32 . o parsed_1lud 1 16 1 1 . . . . . . . . . 34 . n parsed_1lud 1 16 1 2 . . . . . . . . . 31 . o parsed_1lud 1 16 1 2 . . . . . . . . . 32 . o parsed_1lud 1 17 1 1 . . . . . . . . . 35 . hn parsed_1lud 1 17 1 2 . . . . . . . . . 31 . o parsed_1lud 1 17 1 2 . . . . . . . . . 32 . o parsed_1lud 1 18 1 1 . . . . . . . . . 35 . n parsed_1lud 1 18 1 2 . . . . . . . . . 31 . o parsed_1lud 1 18 1 2 . . . . . . . . . 32 . o parsed_1lud 1 19 1 1 . . . . . . . . . 37 . hn parsed_1lud 1 19 1 2 . . . . . . . . . 34 . o parsed_1lud 1 20 1 1 . . . . . . . . . 37 . n parsed_1lud 1 20 1 2 . . . . . . . . . 34 . o parsed_1lud 1 21 1 1 . . . . . . . . . 57 . hn parsed_1lud 1 21 1 2 . . . . . . . . . 54 . o parsed_1lud 1 22 1 1 . . . . . . . . . 57 . n parsed_1lud 1 22 1 2 . . . . . . . . . 54 . o parsed_1lud 1 23 1 1 . . . . . . . . . 73 . hn parsed_1lud 1 23 1 2 . . . . . . . . . 70 . o parsed_1lud 1 24 1 1 . . . . . . . . . 73 . n parsed_1lud 1 24 1 2 . . . . . . . . . 70 . o parsed_1lud 1 25 1 1 . . . . . . . . . 92 . hn parsed_1lud 1 25 1 2 . . . . . . . . . 89 . o parsed_1lud 1 26 1 1 . . . . . . . . . 92 . n parsed_1lud 1 26 1 2 . . . . . . . . . 89 . o parsed_1lud 1 27 1 1 . . . . . . . . . 98 . hn parsed_1lud 1 27 1 2 . . . . . . . . . 40 . o parsed_1lud 1 28 1 1 . . . . . . . . . 98 . n parsed_1lud 1 28 1 2 . . . . . . . . . 40 . o parsed_1lud 1 29 1 1 . . . . . . . . . 128 . hn parsed_1lud 1 29 1 2 . . . . . . . . . 11 . o parsed_1lud 1 30 1 1 . . . . . . . . . 128 . n parsed_1lud 1 30 1 2 . . . . . . . . . 11 . o parsed_1lud 1 31 1 1 . . . . . . . . . 133 . hn parsed_1lud 1 31 1 2 . . . . . . . . . 131 . o parsed_1lud 1 32 1 1 . . . . . . . . . 133 . n parsed_1lud 1 32 1 2 . . . . . . . . . 131 . o parsed_1lud 1 33 1 1 . . . . . . . . . 135 . hn parsed_1lud 1 33 1 2 . . . . . . . . . 132 . o parsed_1lud 1 34 1 1 . . . . . . . . . 135 . n parsed_1lud 1 34 1 2 . . . . . . . . . 132 . o parsed_1lud 1 35 1 1 . . . . . . . . . 136 . hn parsed_1lud 1 35 1 2 . . . . . . . . . 132 . o parsed_1lud 1 36 1 1 . . . . . . . . . 136 . n parsed_1lud 1 36 1 2 . . . . . . . . . 132 . o parsed_1lud 1 37 1 1 . . . . . . . . . 140 . hn parsed_1lud 1 37 1 2 . . . . . . . . . 157 . o parsed_1lud 1 38 1 1 . . . . . . . . . 140 . n parsed_1lud 1 38 1 2 . . . . . . . . . 157 . o parsed_1lud 1 39 1 1 . . . . . . . . . 151 . hn parsed_1lud 1 39 1 2 . . . . . . . . . 148 . o parsed_1lud 1 40 1 1 . . . . . . . . . 151 . n parsed_1lud 1 40 1 2 . . . . . . . . . 148 . o parsed_1lud 1 41 1 1 . . . . . . . . . 152 . hn parsed_1lud 1 41 1 2 . . . . . . . . . 149 . o parsed_1lud 1 42 1 1 . . . . . . . . . 152 . n parsed_1lud 1 42 1 2 . . . . . . . . . 149 . o parsed_1lud 1 43 1 1 . . . . . . . . . 34 . hg1 parsed_1lud 1 43 1 2 . . . . . . . . . 30 . o parsed_1lud 1 44 1 1 . . . . . . . . . 34 . og1 parsed_1lud 1 44 1 2 . . . . . . . . . 30 . o parsed_1lud 1 45 1 1 . . . . . . . . . 116 . hg1 parsed_1lud 1 45 1 2 . . . . . . . . . 26 . od2 parsed_1lud 1 46 1 1 . . . . . . . . . 116 . og1 parsed_1lud 1 46 1 2 . . . . . . . . . 26 . od2 parsed_1lud 1 47 1 1 . . . . . . . . . 170 . h1 parsed_1lud 1 47 1 2 . . . . . . . . . 26 . od1 parsed_1lud 1 48 1 1 . . . . . . . . . 170 . n1 parsed_1lud 1 48 1 2 . . . . . . . . . 26 . od1 parsed_1lud 1 49 1 1 . . . . . . . . . 170 . hn2* parsed_1lud 1 49 1 2 . . . . . . . . . 26 . od2 parsed_1lud 1 50 1 1 . . . . . . . . . 170 . n2 parsed_1lud 1 50 1 2 . . . . . . . . . 26 . od2 parsed_1lud 1 51 1 1 . . . . . . . . . 6 . hn parsed_1lud 1 51 1 2 . . . . . . . . . 168 . o7n parsed_1lud 1 52 1 1 . . . . . . . . . 6 . n parsed_1lud 1 52 1 2 . . . . . . . . . 168 . o7n parsed_1lud 1 53 1 1 . . . . . . . . . 43 . hn parsed_1lud 1 53 1 2 . . . . . . . . . 62 . o parsed_1lud 1 53 1 2 . . . . . . . . . 168 . o4'a parsed_1lud 1 54 1 1 . . . . . . . . . 43 . n parsed_1lud 1 54 1 2 . . . . . . . . . 62 . o parsed_1lud 1 54 1 2 . . . . . . . . . 168 . o4'a parsed_1lud 1 55 1 1 . . . . . . . . . 43 . he parsed_1lud 1 55 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 56 1 1 . . . . . . . . . 43 . ne parsed_1lud 1 56 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 57 1 1 . . . . . . . . . 43 . hh11 parsed_1lud 1 57 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 58 1 1 . . . . . . . . . 43 . nh1 parsed_1lud 1 58 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 59 1 1 . . . . . . . . . 45 . hn parsed_1lud 1 59 1 2 . . . . . . . . . 168 . o#a parsed_1lud 1 60 1 1 . . . . . . . . . 45 . n parsed_1lud 1 60 1 2 . . . . . . . . . 168 . o#a parsed_1lud 1 61 1 1 . . . . . . . . . 63 . hg1 parsed_1lud 1 61 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 62 1 1 . . . . . . . . . 63 . og1 parsed_1lud 1 62 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 63 1 1 . . . . . . . . . 65 . he2# parsed_1lud 1 63 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 64 1 1 . . . . . . . . . 65 . ne2 parsed_1lud 1 64 1 2 . . . . . . . . . 168 . op#a parsed_1lud 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 2 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 3 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 4 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 5 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 6 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 7 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 8 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 9 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 10 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 11 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 12 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 13 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 14 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 15 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 16 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 17 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 18 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 19 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 20 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 21 1 . . . . . 2.50 1.70 3.00 parsed_1lud 1 22 1 . . . . . 3.50 2.80 4.00 parsed_1lud 1 23 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 24 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 25 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 26 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 27 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 28 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 29 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 30 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 31 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 32 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 33 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 34 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 35 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 36 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 37 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 38 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 39 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 40 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 41 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 42 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 43 1 . . . . . 2.40 1.60 2.60 parsed_1lud 1 44 1 . . . . . 3.40 2.70 3.60 parsed_1lud 1 45 1 . . . . . 2.40 1.60 2.60 parsed_1lud 1 46 1 . . . . . 3.40 2.70 3.60 parsed_1lud 1 47 1 . . . . . 2.00 1.80 2.20 parsed_1lud 1 48 1 . . . . . 3.00 2.80 3.20 parsed_1lud 1 49 1 . . . . . 2.00 1.80 2.20 parsed_1lud 1 50 1 . . . . . 3.00 2.80 3.20 parsed_1lud 1 51 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 52 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 53 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 54 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 55 1 . . . . . 2.00 1.80 2.20 parsed_1lud 1 56 1 . . . . . 3.00 2.80 3.20 parsed_1lud 1 57 1 . . . . . 2.00 1.80 2.20 parsed_1lud 1 58 1 . . . . . 3.00 2.80 3.20 parsed_1lud 1 59 1 . . . . . 2.40 1.60 2.90 parsed_1lud 1 60 1 . . . . . 3.40 2.70 3.90 parsed_1lud 1 61 1 . . . . . 2.40 1.60 2.60 parsed_1lud 1 62 1 . . . . . 3.40 2.70 3.60 parsed_1lud 1 63 1 . . . . . 2.40 1.60 2.60 parsed_1lud 1 64 1 . . . . . 3.40 2.70 3.60 parsed_1lud 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 turns 1 1 1 8 parsed_1lud 1 2 ; Constraints below are included at the very last stage of refinement Constraints for Asp-26 - TMP interaction Polshakov et al., Theochem - J. Mol. Struct., 357, 207-217(1995) ; 49 1 53 66 parsed_1lud 1 3 ; Constraints for DHFR - NADPH interaction Polshakov et al., J. Mol. Struct., 602/603, 257-267(2002) ; 58 1 59 59 parsed_1lud 1 4 "Gargaro et al., Eur. J. Biochem., 238, 435-439(1996)" 62 1 62 54 parsed_1lud 1 5 "H-bonds detected on comparison between complexes with/without NADPH" 69 1 69 70 parsed_1lud 1 stop_ save_
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