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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type |
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5036 |
1gb1 ![]() ![]() |
cing | recoord | 1-original | MR format | comment |
REMARK Experimental NMR restraints used to determine the REMARK high resolution three-dimensional structure of the REMARK B1 domain of protein G in solution REMARK REMARK Authors: A.M. Gronenborn and G.M. Clore REMARK REMARK References REMARK REMARK 1. Gronenborn, A.M., Filpula, D.R., Essig, N.Z., Achari, A., REMARK Whitlow, M., Wingfield, P.T. & Clore, G.M. (1991) REMARK The immunoglobulin binding domain of streptococcal protein G REMARK has a novel and highly stable polypeptide fold. REMARK Science in press REMARK REMARK REMARK Details of the structure determination and all structural REMARK statistics are given in ref. 1 (i.e. agreement with experimental REMARK restraints, deviations from ideality for bond lengths, angles, REMARK planes and chirality, non-bonded contacts, atomic rms differences REMARK between the calculated structures). REMARK The structures are based on 854 interproton distance restraints REMARK derived from NOE measurements; 60 hydrogen-bonding distance REMARK restraints for 30 hydrogen-bonds identified on the basis of the REMARK NOE and amide proton exchange data, as well as the initial structure REMARK calculations; and 54 phi and 51 psi backbone torsion angle REMARK restraints and 39 chi1 side chain torsion angle restraints derived REMARK from coupling constants and NOE data. The latter are obtained using REMARK the conformationa grid search program STEREOSEARCH [Nilges, M., REMARK Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822 REMARK The method used to determine the structures REMARK is the hybrid metric matrix distance geometry-dynamical simulated REMARK annealing method [Nilges, M., Clore, G.M. & Gronenborn, A.M. REMARK FEBS Lett. 229, 317-324 (1988)]. REMARK REMARK REMARK All the coordinates REMARK are included here as a separate file: g_brookhaven.pdb REMARK REMARK The NOE restraints are given in (A), the torsion angle restraints REMARK in (B), and the table of proton chemical shift assignments in (C). REMARK REMARK
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