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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
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36012 |
1mrt ![]() ![]() |
cing | 2-parsed | STAR | entry | full |
data_1mrt_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1mrt _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_1mrt 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1mrt _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 1mrt "Master copy" parsed_1mrt stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1mrt _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 1mrt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mrt 1 1 1mrt.mr . . "MR format" 2 distance NOE simple 0 parsed_1mrt 1 1 1mrt.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1mrt 1 1 1mrt.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mrt 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_1mrt _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 R1MRTMR 14-MAY-90 *COMPND CD-7 METALLOTHIONEIN-2 (/NMR$) *SOURCE RAT (RATTUS $RATTUS) LIVER *EXPDTA NMR *AUTHOR W.BRAUN,P.SCHULTZE,E.WOERGOETTER,G.WAGNER,M.VASAK, *AUTHOR 2 J.H.R.KAEGI,K.WUTHRICH *COORDS 1MRT,2MRT *REMARK *REMARK HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES *REMARK CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB *REMARK COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL. *REMARK BIOL. 52, 1 (1970)). THE PROTEIN DATA BANK HAS FOLLOWED *REMARK RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING *REMARK MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED *REMARK TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER *REMARK DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM *REMARK NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS *REMARK DENOTED AS 1HB). HEADER NMR DATA FOR 1MRT 3-MAY-90 1MRT 1MRT 3 COMPND CD-7 METALLOTHIONEIN-2 1MRT 4 SOURCE RAT LIVER 1MRT 5 AUTHOR W.BRAUN,P.SCHULTZE,E.WORGOTTER,G.WAGNER,M.VASAK, 1MRT 6 AUTHOR J.H.R.KAGI,K.WUTHRICH 1MRT 7 COORDS 1MRT 1MRT 8 REMARK 1 1MRT 9 REMARK 1 REFERENCE 1 1MRT 10 REMARK 1 AUTH E.WORGOTTER,G.WAGNER,M.VASAK,J.H.R.KAGI,K.WUTHRICH 1MRT 11 REMARK 1 TITL SEQUENCE-SPECIFIC 1H-NMR ASSIGNMENTS IN RAT-LIVER 1MRT 12 REMARK 1 TITL 2 METALLOTHIONEIN-2 1MRT 13 REMARK 1 REF EUR.J.BIOCHEM. V. 167 457 1987 1MRT 14 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 262 1MRT 15 REMARK 2 1MRT 16 REMARK 2 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION 1MRT 17 REMARK 2 OF THE THREE-DIMENSIONAL STRUCTURE OF 1MRT BY NUCLEAR 1MRT 18 REMARK 2 MAGNETIC RESONANCE IN SOLUTION. 1MRT 19 REMARK 3 1MRT 20 REMARK 3 INPUT DATA. 126 UPPER LIMIT DISTANCE CONSTRAINTS FROM NOESY 1MRT 21 REMARK 3 SPECTRA IN H2O AND D2O AT 10 DEGREES CELSIUS AND PH 7.0 1MRT 22 REMARK 3 IN ADDITION UPPER AND LOWER DISTANCE CONSTRAINTS 1MRT 23 REMARK 3 WERE USED TO ENSURE THE CD-CYS CO-ORDINATIVE BONDS 1MRT 24 REMARK 3 WITH TETRAHEDRAL CO-ORDINATION GEOMETRY AT EACH METAL ION 1MRT 25 REMARK 3 AS DESCRIBED IN TABLE 1 OF ARSENIEV ET AL., J.MOL.BIOL. 1MRT 26 REMARK 3 (1988), VOL. 201, p.637. A LIST OF THE CHEMICAL SHIFTS 1MRT 27 REMARK 3 FOR THIS PROTEIN CAN BE FOUND IN REFERENCE 1. 1MRT 28 REMARK 4 1MRT 29 REMARK 4 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING 1MRT 30 REMARK 4 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. 1MRT 31 REMARK 4 1MRT 32 REMARK 4 RECORD CONTENT UNIT 1MRT 33 REMARK 4 ------ ------------------------------------------- --------- 1MRT 34 REMARK 4 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1MRT 35 REMARK 4 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 1MRT 36 REMARK 4 ANGLE TORSION ANGLE CONSTRAINTS IN THE FORM OF DEGREES 1MRT 37 REMARK 4 AN ALLOWED INTERVAL 1MRT 38 REMARK 4 1MRT 39 REMARK 4 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE 1MRT 40 REMARK 4 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE 1MRT 41 REMARK 4 MASTER RECORD. 1MRT 42 REMARK 4 1MRT 43 REMARK 4 RECORD CONTENTS (FORTRAN FORMAT) 1MRT 44 REMARK 4 ------ ----------------------------------------------------- 1MRT 45 REMARK 4 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM 1MRT 46 REMARK 4 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1MRT 47 REMARK 4 SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM 1MRT 48 REMARK 4 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1MRT 49 REMARK 4 SECOND ATOM NAME, UPPER DISTANCE LIMIT 1MRT 50 REMARK 4 ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X)) 1MRT 51 REMARK 4 ANGLE RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND 1MRT 52 REMARK 4 UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND 1MRT 53 REMARK 4 ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X)) 1MRT 54 REMARK 4 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS, 1MRT 55 REMARK 4 NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS, 1MRT 56 REMARK 4 NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF 1MRT 57 REMARK 4 NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE 1MRT 58 REMARK 4 RECORDS 1MRT 59 REMARK 4 ('MASTER',4X,7I5) 1MRT 60 REMARK 5 1MRT 61 REMARK 5 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS 1MRT 62 REMARK 5 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY 1MRT 63 REMARK 5 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE 1MRT 64 REMARK 5 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM 1MRT 65 REMARK 5 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE 1MRT 66 REMARK 5 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER 1MRT 67 REMARK 5 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES. 1MRT 68 REMARK 5 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO- 1MRT 69 REMARK 5 ORDINATE FILE 1MRT. 1MRT 70 REMARK 6 1MRT 71 REMARK 6 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE 1MRT 72 REMARK 6 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS 1MRT 73 REMARK 6 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983) 1MRT 74 REMARK 6 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL 1MRT 75 REMARK 6 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR 1MRT 76 REMARK 6 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED. 1MRT 77 REMARK 7 1MRT 78 REMARK 7 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE 1MRT 79 REMARK 7 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN 1MRT 80 REMARK 7 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ... 1MRT 81 REMARK 7 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF 1MRT 82 REMARK 7 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS 1MRT 83 REMARK 7 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE 1MRT 84 REMARK 7 HYDROGEN ATOMS ARE ATTACHED. 1MRT 85 REMARK 7 QQG DENOTES THE PSEUDO-ATOM FOR THE 6 HYDROGEN 1MRT 86 REMARK 7 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL. 1MRT 87 REMARK 7 1MRT 88 ; save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mrt _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *REMARK *REMARK THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR *REMARK NAMES IN THE ENTRY AND THE ORIGINAL DATA: ; save_
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