Document 0780 DOCN M9550780 TI A full-coordinate model of the polymerase domain of HIV-I reverse transcriptase and its interaction with a nucleic acid substrate. DT 9505 AU Setlik RF; Meyer DJ; Shibata M; Roskwitalski R; Ornstein RL; Rein R; Department of Biophysics, Roswell Park Cancer Institute, Buffalo,; New York 14263. SO J Biomol Struct Dyn. 1994 Aug;12(1):037-60. Unique Identifier : AIDSLINE MED/95151194 AB We present a full-coordinate model of residues 1-319 of the polymerase domain of HIV-I reverse transcriptase. This model was constructed from the x-ray crystallographic structure of Jacobo-Molina et al. (Jacobo-Molina et al., P.N.A.S. USA 90, 6320-6324 (1993)) which is currently available to the degree of C-coordinates. The backbone and side-chain atoms were constructed using the MAXSPROUT suite of programs (L. Holm and C. Sander, J. Mol. Biol. 218, 183-194 (1991)) and refined through molecular modeling. A seven base pair A-form dsDNA was positioned in the nucleic acid binding cleft to represent the template-primer complex. The orientation of the template-primer complex in the nucleic acid binding cleft was guided by the positions of phosphorus atoms in the crystal structure. DE Amino Acid Sequence DNA Polymerases/*CHEMISTRY HIV-1/*CHEMISTRY/ENZYMOLOGY Magnesium/PHYSIOLOGY *Models, Molecular Molecular Sequence Data Nucleic Acids/*CHEMISTRY Protein Structure, Tertiary Reverse Transcriptase/*CHEMISTRY Sequence Alignment Substrate Specificity Support, U.S. Gov't, Non-P.H.S. JOURNAL ARTICLE SOURCE: National Library of Medicine. NOTICE: This material may be protected by Copyright Law (Title 17, U.S.Code).