NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
587671 | 2mld | 19813 | cing | 2-parsed | STAR | entry | full | 47 |
data_2mld_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2mld _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_2mld 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2mld _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 2mld "Master copy" parsed_2mld stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2mld _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 2mld.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mld 1 1 2mld.mr . . XEASY 2 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2mld 1 1 2mld.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_2mld 1 1 2mld.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 26 parsed_2mld 1 1 2mld.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mld 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2mld _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER TOXIN 24-FEB-14 2MLD *TITLE SOLUTION STRUCTURE OF BMKTX-D19K/K6D *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.6; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 23-59; *COMPND 5 SYNONYM: BMKTX, KALIOTOXIN; *COMPND 6 ENGINEERED: YES; *COMPND 7 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; *SOURCE 3 ORGANISM_COMMON: MANCHURIAN SCORPION; *SOURCE 4 ORGANISM_TAXID: 34649; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PGEX-6P-1 *KEYWDS TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.HONG, D.LIN, Z.CHEN, Y.WU *REVDAT 1 25-FEB-15 2MLD 0 ; save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2mld _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2mld 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2mld 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2mld 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2mld 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2mld 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2mld 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2mld 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2mld 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2mld 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2mld 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2mld 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -95 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2mld 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2mld 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2mld 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2mld 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -40 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2mld 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2mld 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2mld 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2mld 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2mld 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2mld 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; This is an input from J coupling phi constraint of C7 ; 1 1 4 22 parsed_2mld 1 2 "phi constraint of K8" 8 1 8 22 parsed_2mld 1 3 "phi constraint of S10" 12 1 12 23 parsed_2mld 1 4 "phi constraint of Q12" 16 1 16 23 parsed_2mld 1 5 "phi constraint of C13" 20 1 20 23 parsed_2mld 1 6 "phi constraint of L14" 24 1 24 23 parsed_2mld 1 7 "phi constraint of K15" 28 1 28 23 parsed_2mld 1 8 "phi constraint of C17" 32 1 32 23 parsed_2mld 1 9 "phi constraint of K18" 36 1 36 23 parsed_2mld 1 10 "phi constraint of K19" 40 1 40 23 parsed_2mld 1 11 "phi constraint of A20" 44 1 44 23 parsed_2mld 1 12 "phi constraint of K26" 48 1 48 23 parsed_2mld 1 13 "phi constraint of C27" 52 1 52 23 parsed_2mld 1 14 "phi constraint of I28" 56 1 56 23 parsed_2mld 1 15 "phi constraint of N29" 60 1 60 23 parsed_2mld 1 16 "phi constraint of K31" 64 1 64 23 parsed_2mld 1 17 "phi constraint of C32" 68 1 68 23 parsed_2mld 1 18 "phi constraint of D33" 72 1 72 23 parsed_2mld 1 19 "phi constraint of C34" 76 1 76 23 parsed_2mld 1 20 "phi constraint of T35" 80 1 80 23 parsed_2mld 1 21 "phi constraint of K37" 84 1 84 23 parsed_2mld 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mld _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_2mld 1 2 1 . . . parsed_2mld 1 3 1 . . . parsed_2mld 1 4 1 . . . parsed_2mld 1 5 1 . . . parsed_2mld 1 6 1 . . . parsed_2mld 1 7 1 . . . parsed_2mld 1 8 1 . . . parsed_2mld 1 9 1 . . . parsed_2mld 1 10 1 . . . parsed_2mld 1 11 1 . . . parsed_2mld 1 12 1 . . . parsed_2mld 1 13 1 . . . parsed_2mld 1 14 1 . . . parsed_2mld 1 15 1 . . . parsed_2mld 1 16 1 . . . parsed_2mld 1 17 1 . . . parsed_2mld 1 18 1 . . . parsed_2mld 1 19 1 . . . parsed_2mld 1 20 1 . . . parsed_2mld 1 21 1 . . . parsed_2mld 1 22 1 . . . parsed_2mld 1 23 1 . . . parsed_2mld 1 24 1 . . . parsed_2mld 1 25 1 . . . parsed_2mld 1 26 1 . . . parsed_2mld 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 . . . . . . . . . 3 . HN parsed_2mld 1 1 1 2 . . . . . . . . . 32 . O parsed_2mld 1 2 1 1 . . . . . . . . . 3 . N parsed_2mld 1 2 1 2 . . . . . . . . . 32 . O parsed_2mld 1 3 1 1 . . . . . . . . . 7 . HN parsed_2mld 1 3 1 2 . . . . . . . . . 30 . O parsed_2mld 1 4 1 1 . . . . . . . . . 7 . N parsed_2mld 1 4 1 2 . . . . . . . . . 30 . O parsed_2mld 1 5 1 1 . . . . . . . . . 12 . HN parsed_2mld 1 5 1 2 . . . . . . . . . 9 . O parsed_2mld 1 6 1 1 . . . . . . . . . 12 . N parsed_2mld 1 6 1 2 . . . . . . . . . 9 . O parsed_2mld 1 7 1 1 . . . . . . . . . 13 . HN parsed_2mld 1 7 1 2 . . . . . . . . . 10 . O parsed_2mld 1 8 1 1 . . . . . . . . . 13 . N parsed_2mld 1 8 1 2 . . . . . . . . . 10 . O parsed_2mld 1 9 1 1 . . . . . . . . . 17 . HN parsed_2mld 1 9 1 2 . . . . . . . . . 13 . O parsed_2mld 1 10 1 1 . . . . . . . . . 17 . N parsed_2mld 1 10 1 2 . . . . . . . . . 13 . O parsed_2mld 1 11 1 1 . . . . . . . . . 18 . HN parsed_2mld 1 11 1 2 . . . . . . . . . 14 . O parsed_2mld 1 12 1 1 . . . . . . . . . 18 . N parsed_2mld 1 12 1 2 . . . . . . . . . 14 . O parsed_2mld 1 13 1 1 . . . . . . . . . 20 . HN parsed_2mld 1 13 1 2 . . . . . . . . . 16 . O parsed_2mld 1 14 1 1 . . . . . . . . . 20 . N parsed_2mld 1 14 1 2 . . . . . . . . . 16 . O parsed_2mld 1 15 1 1 . . . . . . . . . 21 . HN parsed_2mld 1 15 1 2 . . . . . . . . . 17 . O parsed_2mld 1 16 1 1 . . . . . . . . . 21 . N parsed_2mld 1 16 1 2 . . . . . . . . . 17 . O parsed_2mld 1 17 1 1 . . . . . . . . . 22 . HN parsed_2mld 1 17 1 2 . . . . . . . . . 17 . O parsed_2mld 1 18 1 1 . . . . . . . . . 22 . N parsed_2mld 1 18 1 2 . . . . . . . . . 17 . O parsed_2mld 1 19 1 1 . . . . . . . . . 23 . HN parsed_2mld 1 19 1 2 . . . . . . . . . 35 . O parsed_2mld 1 20 1 1 . . . . . . . . . 23 . N parsed_2mld 1 20 1 2 . . . . . . . . . 35 . O parsed_2mld 1 21 1 1 . . . . . . . . . 26 . HN parsed_2mld 1 21 1 2 . . . . . . . . . 33 . O parsed_2mld 1 22 1 1 . . . . . . . . . 26 . N parsed_2mld 1 22 1 2 . . . . . . . . . 33 . O parsed_2mld 1 23 1 1 . . . . . . . . . 28 . HN parsed_2mld 1 23 1 2 . . . . . . . . . 31 . O parsed_2mld 1 24 1 1 . . . . . . . . . 28 . N parsed_2mld 1 24 1 2 . . . . . . . . . 31 . O parsed_2mld 1 25 1 1 . . . . . . . . . 32 . HN parsed_2mld 1 25 1 2 . . . . . . . . . 3 . O parsed_2mld 1 26 1 1 . . . . . . . . . 32 . N parsed_2mld 1 26 1 2 . . . . . . . . . 3 . O parsed_2mld 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 . . . . . 1.80 1.80 2.30 parsed_2mld 1 2 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 3 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 4 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 5 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 6 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 7 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 8 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 9 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 10 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 11 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 12 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 13 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 14 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 15 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 16 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 17 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 18 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 19 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 20 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 21 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 22 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 23 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 24 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 25 1 . . . . . 1.80 1.80 2.30 parsed_2mld 1 26 1 . . . . . 2.80 2.80 3.30 parsed_2mld 1 stop_ save_
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