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 |
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33134 |
1hry   |
cing | 2-parsed | STAR | comment |
data_1hry_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1hry
_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_1hry 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1hry
_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 1hry "Master copy" parsed_1hry
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1hry
_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 1hry.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1hry 1
1 1hry.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_1hry 1
1 1hry.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_1hry 1
1 1hry.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 14 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . XPLOR/CNS 16 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . n/a 17 comment "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . PIPP 18 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1hry 1
1 1hry.mr . . "MR format" 19 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hry 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_1hry
_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 COMPLEX (DNA-BINDING PROTEIN/DNA) 09-MAY-95 1HRY
*TITLE THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY
*TITLE 2 MULTID-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: HUMAN SRY;
*COMPND 3 CHAIN: A;
*COMPND 4 MOL_ID: 2;
*COMPND 5 MOLECULE: DNA;
*COMPND 6 CHAIN: B;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 MOL_ID: 2;
*SOURCE 5 SYNTHETIC: YES
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR G.M.CLORE,M.H.WERNER,J.R.HUTH,A.M.GRONENBORN
*REVDAT 1 15-SEP-95 1HRY 0
REMARK Solution structure of the Human SRY-DNA complex
REMARK
REMARK Authors: G.M. Clore, M.H. Werber, J. R. Juth and A.M. Gronenborn
REMARK Laboratory of Chemical Physics, Bldg 5, Rm 132
REMARK NIDDK, National Institutes of Health
REMARK Bethesda, MD 20892-0520
REMARK Tel: (301) 496 0782; FAX (301) 496 0825;
REMARK
REMARK References:
REMARK M.H. Werner, J.R. Huth, A.M. Gronenborn and G.M. Clore
REMARK (1995) Molecular Basis of Human 46X,Y sex reversal revealed
REMARK from the three-dimensional solution structure of the human
REMARK SRY-DNA complex Cell in press (june 2 issue)
REMARK
REMARK
REMARK The 3D structure of the human SRY-DNA complex
REMARK solved by multid-dimensional heteronuclear-edited and -filtered
REMARK NMR is based on 1805 experimental restraints:
REMARK (a) intra-protein: 290 sequential (|i-j|=1), 221 medium
REMARK range (1 < |i-j| >=5) and 107 long range (|i-j| >5) interresidues and
REMARK 238 intraresidue approximate interproton distance restraints; 70
REMARK distance restraints for 35 hydrogen bonds; 153 torsion angle
REMARK (71 phi, 10 psi, 56 chi1 and 16 chi2) restraints; 56 three-bond
REMARK HN-Ha coupling constant restraints; and 145 (73 Calpha and 72 Cbeta)
REMARK 13C shift restraints.
REMARK (b) intra-DNA: 206 intraresidue, 96 sequential intrastrand, 36
REMARK interstrand interproton distance restraints; 40 H-bond restraints;
REMARK 72 torsion angle restraints (for alpha, beta, gamma, epsilon and
REMARK zeta backbone torsion angles.
REMARK (c) intermolecular: 75 interproton distance restraints
REMARK
REMARK
REMARK The structures were calculated using the simulated annealing
REMARK protocol of Nilges et al. (1988) FEBS Lett. 229, 129-136
REMARK using the program XPLOR 3.1 (Brunger) modified to incorporate
REMARK coupling constant (Garrett et al. (1984) J. Magn Reson. Series B
REMARK 104, 99-103) and carbon chemical shift (Kuszewski et al. (1995)
REMARK J. Magn. Reson. Series B 106, 92-96) restraints
REMARK
REMARK
REMARK The structures have been provided in sry_complex.pdb
REMARK
REMARK The NOE restraints are given in (A), the torsion angle restraints
REMARK in (B), the coupling constant restraints in (C), and the
REMARK chemical shift restraints in (D); and the complete set
REMARK of 1H, 15N and 13C assignments in (E)
REMARK
REMARK
;
save_
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