NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

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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