NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type |
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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