1HVO
ZINC-AND SEQUENCE-DEPENDENT BINDING TO NUCLEIC ACIDS BY THE N-TERMINAL ZINC FINGER DOMAIN OF THE HIV-1 NUCLEOCAPSID PROTEIN: NMR STRUCTURE OF THE COMPLEX WITH THE PSI-SITE ANALOG, D/ACGCC
SOLUTION NMR
NMR Refinement | ||
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Method | Details | Software |
simulated annealing | THE INTERNAL CONFORMATION OF THE OLIGODEOXYRIBONUCLEOTIDE, D(ACGCC), WAS HELD FIXED IN AN IDEALIZED A-HELICAL CONFORMATION. THE A-HELIX STRUCTURE WAS GENERATED WITH QUANTA. SIMULATED ANNEALING WAS PERFORMED IN A MANNER THAT ALLOWED ATOMS OF THE ZINC FINGER ONLY TO MOVE DURING REFINEMENT. | DSPACE |
NMR Ensemble Information | |
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Conformer Selection Criteria | |
Conformers Calculated Total Number | |
Conformers Submitted Total Number | 15 |
Additional NMR Experimental Information | |
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Details | THE AVERAGE PAIRWISE RMDS'S FOR THE 40 DG/SA STRUCTURES (C,CA,N ATOMS OF RESIDUES A1-L51) IS 0.42 (0.07) ANGSTROMS. THE AVERAGE RMS DEVIATION FOR THE 40 DG/SA STRUCTURES RELATIVE TO THE MEAN COORDINATES (C,CA,N ATOMS OF RESIDUES A1-L51) IS 0.29 (0.07) ANGSTROMS. |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | DSPACE |