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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|
654668 |
6ttc   |
34472 | cing | 2-parsed | STAR | comment |
data_6ttc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ttc
_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_6ttc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ttc
_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 6ttc "Master copy" parsed_6ttc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ttc
_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 6ttc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ttc 1
1 6ttc.mr . . HADDOCK 2 distance NOE ambi 0 parsed_6ttc 1
1 6ttc.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ttc 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_6ttc
_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 METAL BINDING PROTEIN 26-DEC-19 6TTC
*TITLE HADDOCK MODEL OF NDM-1/MYRICETIN COMPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: METALLO BETA LACTAMASE NDM-1;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: METALLO BETA-LACTAMASE,METALLO-BETA-LACTAMASE,NDM-1,NDM
*COMPND 5 CARBAPENEMASE,NDM-1 METALLO-BETA-LACTAMASE,NDM1 METALLO-BETA-
*COMPND 6 LACTAMASE,NEW DELHI METALLO CARBAPENEMASE-1,NEW DELHI METALLO-BETA-
*COMPND 7 LACTAMSE 1,SUBCLASS B1 METALLO-BETA-LACTAMASE NDM-1;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE;
*SOURCE 3 ORGANISM_TAXID: 573;
*SOURCE 4 GENE: BLANDM-1, BLA NDM-1, BLANDM-1_1, BLANDM-1_2, BLANDM-1_3,
*SOURCE 5 BLANDM1, NDM-1, BANRA_05884, C3483_29595, C7V41_28630, D647_P47098,
*SOURCE 6 EC13450_007, FAQ72_26810, FAQ97_27095, FAS39_27275, NCTC13443_00040,
*SOURCE 7 P2146_00143, PCRE380_21, PMK1_NDM00067, PMK1_NDM00076,
*SOURCE 8 PMK1_NDM00085, PN11X00042NDM_090, PNDM-SX04_5, PNDM10469_138,
*SOURCE 9 SAMEA3531848_05178, TR3_031, TR4_031;
*SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 11 EXPRESSION_SYSTEM_TAXID: 562
*KEYWDS COMPLEX, INHIBITOR, MYRICETIN, NEW-DELHI METALLO-BETA-LACTAMASE-1,
*KEYWDS 2 HADDOCK, ANTIMICROBIAL RESISTANCE, METAL BINDING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 4
*AUTHOR G.RIVIERE,S.OUESLATI,M.GAYRAL,J.B.CRECHET,N.NHIRI,E.JACQUET,
*AUTHOR 2 J.C.CINTRAT,F.GIRAUD,C.VAN HEIJENOORT,E.LESCOP,S.PETHE,B.I.IORGA,
*AUTHOR 3 T.NAAS,E.GUITTET,N.MORELLET
*REVDAT 1 13-JAN-21 6TTC 0
;
save_
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