NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
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35346 |
1lcd   |
cing | 2-parsed | STAR | entry | full |
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
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