NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
36009 |
1mrb   |
cing | 2-parsed | STAR | entry | full |
data_1mrb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1mrb
_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_1mrb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1mrb
_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 1mrb "Master copy" parsed_1mrb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1mrb
_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 1mrb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mrb 1
1 1mrb.mr . . "MR format" 2 distance NOE simple 0 parsed_1mrb 1
1 1mrb.mr . . "MR format" 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1mrb 1
1 1mrb.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1mrb 1
1 1mrb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mrb 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_1mrb
_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 R1MRBMR 14-MAY-90
*COMPND CD-7 METALLOTHIONEIN-2A (/NMR$)
*SOURCE RABBIT (ORYCTOLAGUS $CUNICULUS) LIVER
*EXPDTA NMR
*AUTHOR W.BRAUN,A.ARSENIEV,P.SCHULTZE,E.WOERGOETTER,G.WAGNER,
*AUTHOR 2 M.VASAK,J.H.R.KAEGI,K.WUTHRICH
*COORDS 1MRB,2MRB
*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).
*REMARK
HEADER NMR DATA FOR 1MRB 3-MAY-90 1MRB 1MRB 3
COMPND CD-7 METALLOTHIONEIN-2A 1MRB 4
SOURCE RABBIT LIVER 1MRB 5
AUTHOR W.BRAUN,A.ARSENIEV,P.SCHULTZE,E.WORGOTTER,G.WAGNER, 1MRB 6
AUTHOR M.VASAK,J.H.R.KAGI,K.WUTHRICH 1MRB 7
COORDS 1MRB 1MRB 8
REMARK 1 1MRB 9
REMARK 1 REFERENCE 1 1MRB 10
REMARK 1 AUTH G.WAGNER,D.NEUHAUS,E.WORGOTTER, 1MRB 11
REMARK 1 AUTH 2 M.VASAK,J.H.R.KAGI,K.WUTHRICH 1MRB 12
REMARK 1 TITL SEQUENCE-SPECIFIC 1H-NMR ASSIGNMENTS IN RABBIT-LIVER 1MRB 13
REMARK 1 TITL 2 METALLOTHIONEIN-2 1MRB 14
REMARK 1 REF EUR.J.BIOCHEM. V. 157 275 1986 1MRB 15
REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 262 1MRB 16
REMARK 2 1MRB 17
REMARK 2 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION 1MRB 18
REMARK 2 OF THE THREE-DIMENSIONAL STRUCTURE OF 1MRB BY NUCLEAR 1MRB 19
REMARK 2 MAGNETIC RESONANCE IN SOLUTION. 1MRB 20
REMARK 3 1MRB 21
REMARK 3 INPUT DATA. 129 UPPER LIMIT DISTANCE CONSTRAINTS FROM NOESY 1MRB 22
REMARK 3 SPECTRA IN H2O AND D2O AT 14 DEGREES CELSIUS AND PH 7.0. 1MRB 23
REMARK 3 IN ADDITION UPPER AND LOWER DISTANCE CONSTRAINTS 1MRB 24
REMARK 3 WERE USED TO ENSURE THE CD-CYS CO-ORDINATIVE BONDS 1MRB 25
REMARK 3 WITH TETRAHEDRAL CO-ORDINATION GEOMETRY AT EACH METAL ION 1MRB 26
REMARK 3 AS DESCRIBED IN TABLE 1 OF ARSENIEV ET AL., J.MOL.BIOL. 1MRB 27
REMARK 3 (1988), VOL. 201, p.637. A LIST OF THE CHEMICAL SHIFTS 1MRB 28
REMARK 3 FOR THIS PROTEIN CAN BE FOUND IN REFERENCE 1. 1MRB 29
REMARK 4 1MRB 30
REMARK 4 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING 1MRB 31
REMARK 4 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. 1MRB 32
REMARK 4 1MRB 33
REMARK 4 RECORD CONTENT UNIT 1MRB 34
REMARK 4 ------ ------------------------------------------- --------- 1MRB 35
REMARK 4 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 1MRB 36
REMARK 4 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 1MRB 37
REMARK 4 ANGLE TORSION ANGLE CONSTRAINTS IN THE FORM OF DEGREES 1MRB 38
REMARK 4 AN ALLOWED INTERVAL 1MRB 39
REMARK 4 1MRB 40
REMARK 4 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE 1MRB 41
REMARK 4 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE 1MRB 42
REMARK 4 MASTER RECORD. 1MRB 43
REMARK 4 1MRB 44
REMARK 4 RECORD CONTENTS (FORTRAN FORMAT) 1MRB 45
REMARK 4 ------ ----------------------------------------------------- 1MRB 46
REMARK 4 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM 1MRB 47
REMARK 4 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1MRB 48
REMARK 4 SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM 1MRB 49
REMARK 4 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 1MRB 50
REMARK 4 SECOND ATOM NAME, UPPER DISTANCE LIMIT 1MRB 51
REMARK 4 ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X)) 1MRB 52
REMARK 4 ANGLE RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND 1MRB 53
REMARK 4 UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND 1MRB 54
REMARK 4 ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X)) 1MRB 55
REMARK 4 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS, 1MRB 56
REMARK 4 NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS, 1MRB 57
REMARK 4 NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF 1MRB 58
REMARK 4 NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE 1MRB 59
REMARK 4 RECORDS 1MRB 60
REMARK 4 ('MASTER',4X,7I5) 1MRB 61
REMARK 5 1MRB 62
REMARK 5 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS 1MRB 63
REMARK 5 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY 1MRB 64
REMARK 5 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE 1MRB 65
REMARK 5 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM 1MRB 66
REMARK 5 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE 1MRB 67
REMARK 5 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER 1MRB 68
REMARK 5 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES. 1MRB 69
REMARK 5 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO- 1MRB 70
REMARK 5 ORDINATE FILE 1MRB. 1MRB 71
REMARK 6 1MRB 72
REMARK 6 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE 1MRB 73
REMARK 6 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS 1MRB 74
REMARK 6 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983) 1MRB 75
REMARK 6 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL 1MRB 76
REMARK 6 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR 1MRB 77
REMARK 6 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED. 1MRB 78
REMARK 7 1MRB 79
REMARK 7 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE 1MRB 80
REMARK 7 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN 1MRB 81
REMARK 7 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ... 1MRB 82
REMARK 7 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF 1MRB 83
REMARK 7 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS 1MRB 84
REMARK 7 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE 1MRB 85
REMARK 7 HYDROGEN ATOMS ARE ATTACHED. 1MRB 86
REMARK 7 QQG DENOTES THE PSEUDO-ATOM FOR THE 6 HYDROGEN 1MRB 87
REMARK 7 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL. 1MRB 88
REMARK 7 1MRB 89
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mrb
_Org_constr_file_comment.ID 2
_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
;
*REMARK
*REMARK THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR
*REMARK NAMES IN THE ENTRY AND THE ORIGINAL DATA:
;
save_
Contact the webmaster for help, if required. Wednesday, July 3, 2024 3:33:24 AM GMT (wattos1)