- PDB-1heg: The crystal structures at 2.2 angstroms resolution of hydroxyethy... -
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データベース: PDB / ID: 1heg
タイトル
The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations
1: RESIDUES PHE I 203, OHE I 203A, AND GLY I 204 REPRESENT PHE-PSI(CHOH-CH2)-GLY. THUS ATOMS C AND N OF PHE I 203 AND ATOM N OF GLY I 204 ARE NOT PRESENT AND ARE REPLACED BY THE ATOMS OF THE HET GROUP OHE.
THE SCISSILE BOND IN THE INHIBITOR PSI IS REPLACED BY A HYDROXYETHYLENE ISOSTERE (CHOH-CH2) THE ...THE SCISSILE BOND IN THE INHIBITOR PSI IS REPLACED BY A HYDROXYETHYLENE ISOSTERE (CHOH-CH2) THE INHIBITOR IS SMALL ENOUGH TO BE ENTIRELY CONTAINED WITHIN THE ACTIVE SITE OF THE ENZYME AND, THEREFORE, DOES NOT CONTRIBUTE TO INTER-DIMER CONTACTS.OF THE TWO POSSIBLE ORIENTATIONS OF THE INHIBITOR, NEITHER IS THERMODYNAMICALLY PREFERRED. IN THE CRYSTAL STRUCTURE, THEREFORE, BOTH ARE REPRESENTED EQUALLY.
配列の詳細
THIS VARIANT OF THE HIV 1 PROTEASE HAS ASN 36 AS CONFIRMED BY INSPECTION OF THE ELECTRON DENSITY. ...THIS VARIANT OF THE HIV 1 PROTEASE HAS ASN 36 AS CONFIRMED BY INSPECTION OF THE ELECTRON DENSITY. SEE REFERENCES 14, 15, AND 16 IN J.BIOL.CHEM. V.267:22770, (1992).