Structure of herpesvirus nuclear egress complex subunit M50

Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication

GENERATED AFTER CLEAVAGE FROM AN INTEIN AFFINITY TAG RESULTING IN AN ADDITIONAL THREE RESIDUES (ALA-GLY-HIS) BEFORE THE STARTING METHIONINE RESIDUE.

AGHMEIDKNVGADLISNTRRILRLDENELRITDTALICKNPNYSLCDAMLTTDIVYPVEYLLSYWECRSGRTACFVFKNT
GCRVSLSCYIGFPERLKDLKRVCDFNFLSVNEALVVTLADIERIKPCDKGVLTNCVVRKSNSGMSYNIEVVAFGPDNEAE
YQALLRDIYAR

ADDITIONAL 3 RESIDUES (ALA-GLY-HIS) IN SAMPLE SEQUENCE BEFORE THE BEGINNING METHIONINE LEFT FROM THE CLEAVAGE OF THE INTEIN AFFINITY TAG. THE REMAINING SEQUENCE IS RESIDUES 1-168 OF M50 GIVING A TOTAL OF 171 RESIDUES.

THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE AND NOESY-BASED NMR EXPERIMENTS ON 13C,15N-LABELED M50 ( RESIDUES 1-168).

REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.
SIMULATED ANNEALING WITH TORSION ANGLE DYNAMICS SIMULATION FOLLOWED BY RDC AND WATERBOX REFINEMENT

CASE, CHEATHAM, MERZ, ROITBERG, SIMMERLING, LUO, WANG, WALKER,