NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
35094 | 1kx7 | 5304 | cing | 2-parsed | STAR | entry | full |
data_1kx7_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1kx7 _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_1kx7 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1kx7 _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 1kx7 "Master copy" parsed_1kx7 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1kx7 _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 1kx7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . n/a 3 "chemical shift" "Not applicable" "format 3" 0 parsed_1kx7 1 1 1kx7.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . unknown 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . unknown 7 distance NOE simple 0 parsed_1kx7 1 1 1kx7.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1kx7 1 1 1kx7.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kx7 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_1kx7 _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 OXYGEN STORAGE/TRANSPORT 31-JAN-02 1KX7 *TITLE FAMILY OF 30 STRUCTURES OF A MONO-HEME FERROCYTOCHROME C *TITLE 2 FROM SHEWANELLA PUTREFACIENS SOLVED BY NMR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MONO-HEME C-TYPE CYTOCHROME SCYA; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: MONO-HEME FERROCYTOCHROME C; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA PUTREFACIENS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 GENE: SCYA; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)C41; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPB10SCYA *KEYWDS HAEM PROTEIN, FERROCYTOCHROME, ELECTRON TRANSPORT, GRAM *KEYWDS 2 NEGATIVE, BACTERIA, SCYA SHEWANELLA PUTREFACIENS, MONO HAEM, *KEYWDS 3 ALL-ALPHA *EXPDTA NMR, 30 STRUCTURES *AUTHOR I.BARTALESI, I.BERTINI, P.HAJIEVA, A.ROSATO, P.R.VASOS *REVDAT 1 13-FEB-02 1KX7 0 ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1kx7 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table 1: 15N and 1HNMR chemical shifts of amino acid residues in the reduced cytochrome c from Shewanella putrefaciens (T=298 K). Notations a, b, g, d, e stand respectively for alpha, beta, gamma, epsilon -CH3 stands for a methyl group corresponding to the frequency -N for a nitrogen frequency assignment Res Nr. N HN Ha Hb Others ; save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1kx7 _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Heme Assignments ; save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1kx7 _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table 2: NOEs Atom 1 Atom 2 dist ; save_ save_MR_file_comment_8 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1kx7 _Org_constr_file_comment.ID 5 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 8 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table 3: : Dihedral angle angle constraints used in solution structure calculations. Nr Res Angle Range ; save_ save_CNS/XPLOR_dihedral_9 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1kx7 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 9 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; 7 TYR CHI1 11 CYS CHI1 -100.0 -20.0 26 HIS CHI1 20.0 100.0 34 ARG CHI1 -100.0 -20.0 37 LYS CHI1 -100.0 -20.0 41 ASN CHI1 -100.0 -20.0 42 LEU CHI1 -100.0 -20.0 47 LYS CHI1 20.0 100.0 51 ASN CHI1 -100.0 -20.0 62 CYS CHI1 -100.0 -20.0 64 ASP CHI1 -100.0 -20.0 66 ASP CHI1 -100.0 -20.0 76 LYS CHI1 20.0 100.0 78 LYS CHI1 20.0 100.0 -1 LEU PHI -145.0 -75.0 5 ALA PHI -150.0 -70.0 6 ILE PHI -150.0 -70.0 7 TYR PHI -150.0 -70.0 8 ASN PHI -150.0 -70.0 9 LYS PHI -150.0 -70.0 10 ALA PHI -125.0 -80.0 14 CYS PHI -125.0 -80.0 15 HEM PHI -145.0 -75.0 17 MET PHI -125.0 -80.0 26 HIS PHI -145.0 -75.0 29 ALA PHI -180.0 -40.0 30 ASP PHI -180.0 -40.0 31 TRP PHI -180.0 -40.0 32 GLU PHI -180.0 -40.0 34 ARG PHI -125.0 -80.0 35 LEU PHI -180.0 -40.0 44 LYS PHI -180.0 -40.0 45 SER PHI -180.0 -40.0 48 THR PHI -145.0 -75.0 53 MET PHI -145.0 -75.0 59 CYS PHI -125.0 -80.0 61 ASP PHI -125.0 -80.0 63 THR PHI -125.0 -80.0 66 ASP PHI -145.0 -75.0 67 TYR PHI -180.0 -40.0 68 LYS PHI -180.0 -40.0 69 ALA PHI -180.0 -40.0 71 ILE PHI -180.0 -40.0 72 GLU PHI -180.0 -40.0 73 PHE PHI -180.0 -40.0 78 LYS PHI -145.0 -75.0 4 GLU PSI -70.0 -10.0 5 ALA PSI -70.0 -10.0 6 ILE PSI -70.0 -10.0 7 TYR PSI -70.0 -10.0 8 ASN PSI -70.0 -10.0 9 LYS PSI -70.0 -10.0 29 ALA PSI -70.0 -10.0 30 ASP PSI -70.0 -10.0 31 TRP PSI -70.0 -10.0 34 ARG PSI -70.0 -10.0 43 VAL PSI -70.0 -10.0 44 LYS PSI -70.0 -10.0 47 LYS PSI -70.0 -10.0 65 GLU PSI -70.0 -10.0 66 ASP PSI -70.0 -10.0 67 TYR PSI -70.0 -10.0 68 LYS PSI -70.0 -10.0 ; 1 1 63 37 parsed_1kx7 1 stop_ save_
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