NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
603606 | 5j2w | 30051 | cing | 2-parsed | STAR | entry | full | 58 |
data_5j2w_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5j2w _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_5j2w 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5j2w _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 5j2w "Master copy" parsed_5j2w stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5j2w _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 5j2w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5j2w 1 1 5j2w.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 58 parsed_5j2w 1 1 5j2w.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5j2w 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_5j2w _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 VIRAL PROTEIN 30-MAR-16 5J2W *TITLE INTERMEDIATE STATE LYING ON THE PATHWAY OF RELEASE OF TAT FROM HIV-1 *TITLE 2 TAR. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYCLIC PEPTIDE MIMETIC OF HIV-1 TAT; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: APICAL REGION (29MER) OF THE HIV-1 TAR RNA ELEMENT; *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; *SOURCE 4 ORGANISM_TAXID: 11676; *SOURCE 5 MOL_ID: 2; *SOURCE 6 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; *SOURCE 7 ORGANISM_TAXID: 11676; *SOURCE 8 EXPRESSION_SYSTEM: IN VITRO TRANSCRIPTION VECTOR PT7-FLUC(DELTAI); *SOURCE 9 EXPRESSION_SYSTEM_TAXID: 905932 *KEYWDS TAR:TAT COMPLEX, RAM SIMULATIONS, RESIDUAL DIPOLAR COUPLINGS, *KEYWDS 2 INTERMEDIATE EXCITED STATE, VIRAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.N.BORKAR,M.F.BARDARO JR.,G.VARANI,M.VENDRUCOLO *REVDAT 1 08-JUN-16 5J2W 0 # Restraints file 1: TARpRAM_pf1.txt !RDC restraints used for generation of the TAR:Tat-peptide RAM ensemble !RDCs measured in aprox 12mg/ml phage !0.6 mM fully labeled sample, 10 mM K phosphate buffer !with 0.1 mM EDTA pH 6.6, Da/R -30 and 0.25 !Average experimental error 2.0 ; save_ save_CNS/XPLOR_dipolar_coupling_2 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_5j2w _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 2 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . 7.50 . . . . . 15 . C8 . 15 . H8 parsed_5j2w 1 2 . . . . . . . . . . . . . . . . -25.50 . . . . . 16 . C1' . 16 . H1' parsed_5j2w 1 3 . . . . . . . . . . . . . . . . 5.50 . . . . . 16 . C8 . 16 . H8 parsed_5j2w 1 4 . . . . . . . . . . . . . . . . -14.50 . . . . . 17 . C1' . 17 . H1' parsed_5j2w 1 5 . . . . . . . . . . . . . . . . 2.50 . . . . . 17 . C5 . 17 . H5 parsed_5j2w 1 6 . . . . . . . . . . . . . . . . 14.50 . . . . . 17 . C6 . 17 . H6 parsed_5j2w 1 7 . . . . . . . . . . . . . . . . -16.00 . . . . . 18 . C1' . 18 . H1' parsed_5j2w 1 8 . . . . . . . . . . . . . . . . 6.50 . . . . . 18 . C2 . 18 . H2 parsed_5j2w 1 9 . . . . . . . . . . . . . . . . 18.50 . . . . . 18 . C8 . 18 . H8 parsed_5j2w 1 10 . . . . . . . . . . . . . . . . 23.50 . . . . . 19 . C8 . 19 . H8 parsed_5j2w 1 11 . . . . . . . . . . . . . . . . 4.50 . . . . . 20 . C1' . 20 . H1' parsed_5j2w 1 12 . . . . . . . . . . . . . . . . 23.50 . . . . . 20 . C2 . 20 . H2 parsed_5j2w 1 13 . . . . . . . . . . . . . . . . 25.00 . . . . . 20 . C8 . 20 . H8 parsed_5j2w 1 14 . . . . . . . . . . . . . . . . 17.50 . . . . . 21 . C1' . 21 . H1' parsed_5j2w 1 15 . . . . . . . . . . . . . . . . 8.50 . . . . . 21 . C4' . 21 . H4' parsed_5j2w 1 16 . . . . . . . . . . . . . . . . 7.00 . . . . . 22 . C4' . 22 . H4' parsed_5j2w 1 17 . . . . . . . . . . . . . . . . 2.50 . . . . . 22 . C5 . 22 . H5 parsed_5j2w 1 18 . . . . . . . . . . . . . . . . -3.50 . . . . . 22 . C6 . 22 . H6 parsed_5j2w 1 19 . . . . . . . . . . . . . . . . -8.50 . . . . . 23 . C1' . 23 . H1' parsed_5j2w 1 20 . . . . . . . . . . . . . . . . -13.50 . . . . . 23 . C5 . 23 . H5 parsed_5j2w 1 21 . . . . . . . . . . . . . . . . -8.00 . . . . . 23 . C6 . 23 . H6 parsed_5j2w 1 22 . . . . . . . . . . . . . . . . -10.00 . . . . . 24 . C1' . 24 . H1' parsed_5j2w 1 23 . . . . . . . . . . . . . . . . 8.50 . . . . . 24 . C8 . 24 . H8 parsed_5j2w 1 24 . . . . . . . . . . . . . . . . -3.00 . . . . . 25 . C1' . 25 . H1' parsed_5j2w 1 25 . . . . . . . . . . . . . . . . 17.50 . . . . . 25 . C2 . 25 . H2 parsed_5j2w 1 26 . . . . . . . . . . . . . . . . 7.50 . . . . . 25 . C8 . 25 . H8 parsed_5j2w 1 27 . . . . . . . . . . . . . . . . -9.50 . . . . . 26 . C1' . 26 . H1' parsed_5j2w 1 28 . . . . . . . . . . . . . . . . 8.50 . . . . . 26 . C8 . 26 . H8 parsed_5j2w 1 29 . . . . . . . . . . . . . . . . 16.50 . . . . . 27 . C6 . 27 . H6 parsed_5j2w 1 30 . . . . . . . . . . . . . . . . 14.50 . . . . . 28 . C5 . 28 . H5 parsed_5j2w 1 31 . . . . . . . . . . . . . . . . 10.00 . . . . . 29 . C4' . 29 . H4' parsed_5j2w 1 32 . . . . . . . . . . . . . . . . 16.00 . . . . . 29 . C5 . 29 . H5 parsed_5j2w 1 33 . . . . . . . . . . . . . . . . 7.50 . . . . . 30 . C1' . 30 . H1' parsed_5j2w 1 34 . . . . . . . . . . . . . . . . 7.00 . . . . . 30 . C8 . 30 . H8 parsed_5j2w 1 35 . . . . . . . . . . . . . . . . 12.00 . . . . . 31 . C8 . 31 . H8 parsed_5j2w 1 36 . . . . . . . . . . . . . . . . 14.50 . . . . . 32 . C8 . 32 . H8 parsed_5j2w 1 37 . . . . . . . . . . . . . . . . -4.50 . . . . . 33 . C1' . 33 . H1' parsed_5j2w 1 38 . . . . . . . . . . . . . . . . -6.00 . . . . . 33 . C2 . 33 . H2 parsed_5j2w 1 39 . . . . . . . . . . . . . . . . -4.50 . . . . . 33 . C8 . 33 . H8 parsed_5j2w 1 40 . . . . . . . . . . . . . . . . -6.00 . . . . . 34 . C1' . 34 . H1' parsed_5j2w 1 41 . . . . . . . . . . . . . . . . -9.00 . . . . . 35 . C1' . 35 . H1' parsed_5j2w 1 42 . . . . . . . . . . . . . . . . 8.50 . . . . . 35 . C6 . 35 . H6 parsed_5j2w 1 43 . . . . . . . . . . . . . . . . -5.50 . . . . . 36 . C1' . 36 . H1' parsed_5j2w 1 44 . . . . . . . . . . . . . . . . 25.00 . . . . . 36 . C5 . 36 . H5 parsed_5j2w 1 45 . . . . . . . . . . . . . . . . -23.00 . . . . . 37 . C1' . 37 . H1' parsed_5j2w 1 46 . . . . . . . . . . . . . . . . 16.00 . . . . . 37 . C5 . 37 . H5 parsed_5j2w 1 47 . . . . . . . . . . . . . . . . 8.50 . . . . . 37 . C6 . 37 . H6 parsed_5j2w 1 48 . . . . . . . . . . . . . . . . 8.00 . . . . . 38 . C5 . 38 . H5 parsed_5j2w 1 49 . . . . . . . . . . . . . . . . 23.50 . . . . . 38 . C6 . 38 . H6 parsed_5j2w 1 50 . . . . . . . . . . . . . . . . 15.50 . . . . . 39 . C5 . 39 . H5 parsed_5j2w 1 51 . . . . . . . . . . . . . . . . 20.50 . . . . . 39 . C6 . 39 . H6 parsed_5j2w 1 52 . . . . . . . . . . . . . . . . 3.00 . . . . . 40 . C1' . 40 . H1' parsed_5j2w 1 53 . . . . . . . . . . . . . . . . 19.50 . . . . . 40 . C5 . 40 . H5 parsed_5j2w 1 54 . . . . . . . . . . . . . . . . 15.50 . . . . . 40 . C6 . 40 . H6 parsed_5j2w 1 55 . . . . . . . . . . . . . . . . 7.50 . . . . . 41 . C8 . 41 . H8 parsed_5j2w 1 56 . . . . . . . . . . . . . . . . 17.00 . . . . . 43 . C4' . 43 . H4' parsed_5j2w 1 57 . . . . . . . . . . . . . . . . 14.50 . . . . . 43 . C5 . 43 . H5 parsed_5j2w 1 58 . . . . . . . . . . . . . . . . 8.00 . . . . . 43 . C6 . 43 . H6 parsed_5j2w 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 G17 1 1 1 5 parsed_5j2w 1 2 G18 9 1 9 5 parsed_5j2w 1 3 G18 17 1 17 5 parsed_5j2w 1 4 C19 25 1 25 5 parsed_5j2w 1 5 C19 33 1 33 5 parsed_5j2w 1 6 C19 41 1 41 5 parsed_5j2w 1 7 A20 49 1 49 5 parsed_5j2w 1 8 A20 57 1 57 5 parsed_5j2w 1 9 A20 65 1 65 5 parsed_5j2w 1 10 G21 73 1 73 5 parsed_5j2w 1 11 A22 81 1 81 5 parsed_5j2w 1 12 A22 89 1 89 5 parsed_5j2w 1 13 A22 97 1 97 5 parsed_5j2w 1 14 U23 105 1 105 5 parsed_5j2w 1 15 U23 113 1 113 5 parsed_5j2w 1 16 C24 121 1 121 5 parsed_5j2w 1 17 C24 129 1 129 5 parsed_5j2w 1 18 C24 137 1 137 5 parsed_5j2w 1 19 U25 145 1 145 5 parsed_5j2w 1 20 U25 153 1 153 5 parsed_5j2w 1 21 U25 161 1 161 5 parsed_5j2w 1 22 G26 169 1 169 5 parsed_5j2w 1 23 G26 177 1 177 5 parsed_5j2w 1 24 A27 185 1 185 5 parsed_5j2w 1 25 A27 193 1 193 5 parsed_5j2w 1 26 A27 201 1 201 5 parsed_5j2w 1 27 G28 209 1 209 5 parsed_5j2w 1 28 G28 217 1 217 5 parsed_5j2w 1 29 C29 225 1 225 5 parsed_5j2w 1 30 C30 233 1 233 5 parsed_5j2w 1 31 U31 241 1 241 5 parsed_5j2w 1 32 U31 249 1 249 5 parsed_5j2w 1 33 G32 257 1 257 5 parsed_5j2w 1 34 G32 265 1 265 5 parsed_5j2w 1 35 G33 273 1 273 5 parsed_5j2w 1 36 G34 281 1 281 5 parsed_5j2w 1 37 A35 289 1 289 5 parsed_5j2w 1 38 A35 297 1 297 5 parsed_5j2w 1 39 A35 305 1 305 5 parsed_5j2w 1 40 G36 313 1 313 5 parsed_5j2w 1 41 C37 321 1 321 5 parsed_5j2w 1 42 C37 329 1 329 5 parsed_5j2w 1 43 U38 337 1 337 5 parsed_5j2w 1 44 U38 345 1 345 5 parsed_5j2w 1 45 C39 353 1 353 5 parsed_5j2w 1 46 C39 361 1 361 5 parsed_5j2w 1 47 C39 369 1 369 5 parsed_5j2w 1 48 U40 377 1 377 5 parsed_5j2w 1 49 U40 385 1 385 5 parsed_5j2w 1 50 C41 393 1 393 5 parsed_5j2w 1 51 C41 401 1 401 5 parsed_5j2w 1 52 U42 409 1 409 5 parsed_5j2w 1 53 U42 417 1 417 5 parsed_5j2w 1 54 U42 425 1 425 5 parsed_5j2w 1 55 G43 433 1 433 5 parsed_5j2w 1 56 C45 441 1 441 5 parsed_5j2w 1 57 C45 449 1 449 5 parsed_5j2w 1 58 C45 457 1 457 5 parsed_5j2w 1 stop_ save_
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