NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type |
5653 | 1hry | cing | 1-original | MR format | 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
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