NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
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603592 |
5j0m   |
30046 | cing | 2-parsed | STAR | comment |
data_5j0m_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5j0m
_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_5j0m 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5j0m
_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 5j0m "Master copy" parsed_5j0m
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5j0m
_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 5j0m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5j0m 1
1 5j0m.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_5j0m 1
1 5j0m.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5j0m 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_5j0m
_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 28-MAR-16 5J0M
*TITLE GROUND STATE SAMPLED DURING RDC RESTRAINED REPLICA-AVERAGED
*TITLE 2 METADYNAMICS (RAM) SIMULATIONS OF THE HIV-1 TAR COMPLEXED WITH CYCLIC
*TITLE 3 PEPTIDE MIMETIC OF TAT
*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 (29-MER) 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, GROUND
*KEYWDS 2 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 5J0M 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_
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