Solution Structure of Cyanovirin-N Domain B Mutant
Solution and crystal structures of a sugar binding site mutant of cyanovirin-N: no evidence of domain swapping
LGKFSQTCYNSAIQGSVLTSTCERTNGGYNTSSIDLNSVIAAVDGSLKWQGSNFIEACRNTQLAGSSELAAECKTAAGQF VSTKINLDDHIANIDGTLKYE
SOLUTION MONOMERIC NMR STRUCTURE OF WILD TYPE CYANOVIRIN
THE INITIAL STRUCTURES WERE OBTAINED USING CYANA AUTOMATIC CALCULATION, BASED ON CHEMICAL SHIFT LISTS FROM SEQUENCE-SPECIFIC RESONANCE ASSIGNMENT AND NOES FROM 15N AND 13C-EDITED 3D-NOESY SPECTRA. THROUGHOUT ALL CALCULATIONS, 126 BACKBONE TORSION ANGLE CONSTRAINTS DERIVED FROM TALOS, WERE EMPLOYED. CNS WAS USED FOR FURTHER REFINEMENT, USING THE DISTANCE AND DIHEDRAL ANGLE CONSTRAINTS OBTAINED FROM THE FINAL CYCLE OF THE CYANA CALCULATION, AND SEVERAL ADDITIONAL NOE CONSTRAINTS FROM MANUAL CHECKING OF THE 3D NOESY DATA. IN TOTAL, 2076 EXPERIMENTAL NOE-RESTRAINTS (~20 PER RESIDUE) WERE EMPLOYED. FROM NOE-DERIVED ENSEMBLE OF 50 STRUCTURES THE 20 LOWEST ENERGY STRUCTURES WERE FURTHER REFINED AGAINST 15N-1H RESIDUAL DIPOLAR COUPLINGS (62) WITH THE PROGRAM DYNAMO INCLUDED IN THE NMRPIPE PACKAGE.
BACKBONE NH DIPOLAR COUPLINGS, RMS=0.64HZ
BRUNGER, ADAMS, CLORE, DELANO, GROSSE-KUNSTLEVE, JIANG, KUSZEWSKI, NILGES, PANNU, READ, RICE, SIMONSON, WARREN
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
CYANOVIRIN-N, HIV-INACTIVATING, GP120, MONOMER, NO 3D DOMAIN-SWAPPING, Antiviral protein
LGKFSQTCYNSAIQGSVLTSTCERTNGGYNTSSIDLNSVIENVDGSLKWQPSNFIETCRNTQLAGSSELAAECKTRAQQF VSTKINLDDHIANIDGTLKYE