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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 |
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35345 |
1lcd ![]() ![]() |
cing | 2-parsed | STAR | comment |
data_1lcd_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1lcd _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_1lcd 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1lcd _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 1lcd "Master copy" parsed_1lcd stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1lcd _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 1lcd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lcd 1 1 1lcd.mr . . "MR format" 2 distance NOE simple 0 parsed_1lcd 1 1 1lcd.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lcd 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_1lcd _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 GENE-REGULATING PROTEIN 25-MAR-93 1LCD *COMPND LAC REPRESSOR ("HEADPIECE") COMPLEX WITH AN 11 BASE-PAIR *COMPND 2 HALF-OPERATOR CORRESPONDING TO THE LEFT HALF OF THE WILD *COMPND 3 TYPE LAC OPERATOR (NMR, 3 STRUCTURES) *SOURCE LAC REPRESSOR: (ESCHERICHIA COLI, STRAIN BMH 74-12); *SOURCE 2 DNA: SYNTHETIC *AUTHOR V.P.CHUPRINA,J.A.C.RULLMANN,R.M.J.N.LAMERICHS, *AUTHOR 2 J.H.VAN BOOM,R.BOELENS,R.KAPTEIN *REVDAT 1 31-JAN-94 1LCD 0 HEADER lac repressor headpiece - 11 bp operator REMARK NMR constraint file derived from 2D NOE measurements COMPND Complex of the 51 amino acid N-terminal fragment COMPND 2 ("headpiece") of E. coli lac repressor with an 11 base pair COMPND 3 half-operator corresponding to the left half of the wild COMPND 4 type lac operator. COMPND 5 AUTHOR V.P. Chuprina, J.A.C. Rullmann, R.M.J.N. Lamerichs, AUTHOR 2 J.H. van Boom, R. Boelens & R. Kaptein. AUTHOR 3 Bijvoet Center for Biomolecular Research, AUTHOR 4 Utrecht University, Padualaan 8, NL-3584 CH Utrecht. JRNL AUTH V.P. Chuprina, J.A.C. Rullmann, R.M.J.N. Lamerichs, JRNL AUTH 2 J.H. van Boom, R. Boelens & R. Kaptein. JRNL TITL Structure of the Complex of lac Repressor Headpiece JRNL TITL 2 and an 11 Base Pair Half-Operator Determined by JRNL TITL 3 NMR Spectroscopy and Restrained Molecular Dynamics. JRNL REF submitted REMARK 1 REFERENCE 1 REMARK 1 AUTH R.M.J.N. Lamerichs, R. Boelens, G.A. van der Marel, REMARK 1 AUTH 2 J.H. van Boom & R. Kaptein. REMARK 1 TITL Assignment of the ==1==H-NMR spectrum of a lac REMARK 1 TITL 2 repressor headpiece-operator complex in H=2=O and REMARK 1 TITL 3 identification of NOEs. Consequences for protein- REMARK 1 TITL 4 DNA interaction. REMARK 1 REF Eur. J. Biochem. V. 194 629 1990 REMARK 1 REFERENCE 2 REMARK 1 AUTH R. Kaptein, R.M.J.N. Lamerichs, R. Boelens & REMARK 1 AUTH 2 J.A.C. Rullmann. REMARK 1 TITL Two-dimensional NMR study of a protein-DNA complex. REMARK 1 TITL 2 lac repressor headpiece - operator interaction. REMARK 1 REF Biochemical Pharmacology V. 40 89 1990 REMARK 1 REFERENCE 3 REMARK 1 AUTH R.M.J.N. Lamerichs, R. Boelens, G.A. van der Marel, REMARK 1 AUTH 2 J.H. van Boom, R. Kaptein, F. Buck, B. Fera & REMARK 1 AUTH 3 H. Rueterjans. REMARK 1 TITL ==1==H NMR study of a complex between the lac REMARK 1 TITL 2 repressor headpiece and a 22 base pair symmetric REMARK 1 TITL 3 lac operator. REMARK 1 REF Biochemistry V. 28 2985 1989 REMARK 1 REFERENCE 4 REMARK 1 AUTH J.A.C. Rullmann, R. Boelens & R. Kaptein. REMARK 1 TITL NMR based docking studies of lac repressor REMARK 1 TITL 2 headpiece on a lac operator fragment. REMARK 1 REF UCLA Symp. on Molec. and V. 95 11 1989 REMARK 1 REF 2 Cell. Biology, New Series, REMARK 1 REF 3 "DNA-Protein Interactions REMARK 1 REF 4 in Transcription", REMARK 1 REF 5 (J. Gralla, ed.). REMARK 1 PUBL Alan R. Liss, Inc., New York REMARK 1 REFERENCE 5 REMARK 1 AUTH R. Boelens, R.M.J.N. Lamerichs, J.A.C. Rullmann, REMARK 1 AUTH 2 J.H. van Boom & R. Kaptein. REMARK 1 TITL The interaction of lac repressor headpiece REMARK 1 TITL 2 with its operator: an NMR view. REMARK 1 REF Protein Seq. Data Anal. V. 1 487 1988 REMARK 1 REFERENCE 6 REMARK 1 AUTH J. de Vlieg, R.M. Scheek, W.F. van Gunsteren, REMARK 1 AUTH 2 H.J.C. Berendsen, R. Kaptein & J. Thomason. REMARK 1 TITL Combined procedure of Distance Geometry and REMARK 1 TITL 2 Restrained Molecular Dynamics techniques for REMARK 1 TITL 3 protein structure determination from nuclear REMARK 1 TITL 4 magnetic resonance data: Application to the REMARK 1 TITL 5 DNA binding domain of lac repressor from REMARK 1 TITL 6 Escherichia coli. REMARK 1 REF Proteins V. 3 209 1988 REMARK 1 REFERENCE 7 REMARK 1 AUTH R. Boelens, R.M. Scheek, R.M.J.N. Lamerichs, REMARK 1 AUTH 2 J. de Vlieg, J.H. van Boom & R. Kaptein. REMARK 1 TITL A two-dimensional NMR study of the complex of REMARK 1 TITL 2 lac repressor headpiece with a 14 base pair REMARK 1 TITL 3 lac operator fragment. REMARK 1 REF DNA-Ligand Interactions 191 1987 REMARK 1 REF 2 (W. Guschlbauer & REMARK 1 REF 3 W. Saenger, eds.) REMARK 1 PUBL Plenum Press, New York. REMARK 1 REFERENCE 8 REMARK 1 AUTH R. Boelens, R.M. Scheek, J.H. van Boom & REMARK 1 AUTH 2 R. Kaptein. REMARK 1 TITL Complex of lac repressor headpiece with a REMARK 1 TITL 2 14 base pair lac operator fragment studied REMARK 1 TITL 3 by two-dimensional nuclear magnetic REMARK 1 TITL 4 resonance. REMARK 1 REF J. Mol. Biol. V. 193 213 1987 REMARK 1 REFERENCE 9 REMARK 1 AUTH J. de Vlieg, R. Boelens, R.M. Scheek, R. Kaptein & REMARK 1 AUTH 2 W.F. van Gunsteren. REMARK 1 TITL Restrained Molecular Dynamics procedure for protein REMARK 1 TITL 2 tertiary structure determination from NMR data: REMARK 1 TITL 3 A lac repressor headpiece structure based on REMARK 1 TITL 4 information on J-coupling and from presence and REMARK 1 TITL 5 absence of NOEs. REMARK 1 REF Israel J. Chem. V. 27 181 1986 REMARK 2 REMARK 2 From 2D NOE measurements of the complex in REMARK 2 aqueous solution a total of 508 distances was derived, REMARK 2 of which 260 are within the headpiece, 212 within the REMARK 2 operator and 36 between headpiece and the operator. REMARK 2 Most of these distances were measured by analysing the REMARK 2 initial rate of the NOE buildup as a function of the mixing REMARK 2 time. A number of known and fixed distances were used to REMARK 2 define a calibration scale. Computed interproton distances REMARK 2 were converted to upper and lower distance bounds by adding REMARK 2 or subtracting 10 percent of the distances. Pseudo-atom REMARK 2 corrections, if needed, were applied afterwards. For most REMARK 2 protein-DNA contacts the buildup rates were considered to REMARK 2 be less reliable, and upper bound estimates of 4 or 6 REMARK 2 Angstrom were used. REMARK 2 In total 508 upper bound and 472 lower bound constraints REMARK 2 were obtained. REMARK 2 ; save_
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