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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34630 |
1k45   |
5181 | cing | 2-parsed | STAR | comment |
data_1k45_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1k45
_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_1k45 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1k45
_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 1k45 "Master copy" parsed_1k45
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1k45
_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 1k45.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 2 distance NOE simple 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1k45 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_1k45
_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 HYROLASE 05-OCT-01 1K45
*TITLE THE SOLUTION STRUCTURE OF THE CBM4-2 CARBOHYDRATE BINDING
*TITLE 2 MODULE FROM A THERMOSTABLE RHODOTHERMUS MARINUS XYLANASE.
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: XYLANASE;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: SECOND FAMILY 4 CARBOHYDRATE BINDING MODULE
*COMPND 5 (CBM4-2)(RESIDUES 211-373);
*COMPND 6 EC: 3.2.1.8;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS;
*SOURCE 3 ORGANISM_COMMON: BACTERIA;
*SOURCE 4 GENE: XYN10A;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-25B(+)
*KEYWDS BETA-SANDWICH FORMED BY 11 STRANDS. BINDING-SITE CLEFT.
*KEYWDS 2 SOLVENT EXPOSED AROMATICS (TRP69, PHE110) IN BINDING
*KEYWDS 3 CLEFT. TWO HELICAL TWISTS. TWO CALCIUM BINDING SITES.
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR P.J.SIMPSON, S.J.JAMIESON, M.ABOU-HACHEM, E.NORDBERG-
*AUTHOR 2 KARLSSON, H.J.GILBERT, O.HOLST, M.P.WILLIAMSON
*REVDAT 1 29-MAY-02 1K45 0
;
save_
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