The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor.     DOI:10.2210/pdb1t7i/pdb

1T7I Display Files close FASTA Sequence PDB File PDB File (Header) mmCIF File mmCIF File (Header) PDBML/XML File PDBML/XML File (Header) Download Files close FASTA Sequence PDB File (Text) PDB File (gz) mmCIF File mmCIF File (gz) PDBML/XML File PDBML/XML File (gz) Biological Assembly (gz) (A+S) Print this Page Share this Page close Email Delicious Stumble Google More... Link this Page

Primary Citation       Molecular Description Hide Classification: Hydrolase Structure Weight: 22709.24   Molecule: Pol Polyprotein Polymer: 1 Type: polypeptide(L) Length: 99 Chains: A, B EC#: 3.4.23.16    Fragment: Protease Mutation: Q7K/K14R/V82T/I84V       Source Hide Polymer: 1 Scientific Name: Human immunodeficiency virus 1 Expression System: Escherichia coli         Related PDB Entries Hide Id Details 1F7A  How Does A Symmetric Dimer Recognize An Asymmetric Substrate? A Substrate Complex Of HIV-1 Protease.  1T3R  HIV PROTEASE WILD-TYPE IN COMPLEX WITH TMC114 INHIBITOR        Ligand Chemical Component Hide Identifier Name Formula Interaction View Links 017     (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3- YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE C27 H37 N3 O7 S Ligand Explorer ACT     ACETATE ION C2 H3 O2 Ligand Explorer PO4     PHOSPHATE ION O4 P Ligand Explorer       Derived Data Hide SCOP Classification v1.75 - (2 Domains) CATH Classification v3.2.0 - (2 Domains) PFAM Classification - (2 Domains) GO Terms - (34 Terms)     Reset Layout

Biological Assembly     More Images... View in Jmol Other Viewers close KiNG WebMol QuickPDB FirstGlance Kiosk SimpleViewer Protein Workshop Ligand Explorer Biological assembly assigned by authors and generated by PISA (software)         Deposition Summary Hide Authors:   King, N.M.,   Prabu-Jeyabalan, M.,   Nalivaika, E.A.,   Wigerinck, P.B.T.P.,   De Bethune, M.-P.,   Schiffer, C.A. Deposition:   2004-05-10 Release:   2005-05-10 Last Modified (REVDAT):   2009-02-24       Experimental Details Hide Method:   X-RAY DIFFRACTION Experimental Data:   N/A Resolution[Å]: 1.35 R-Value: 0.163 (work) R-Free: 0.200 Space Group: P 21 21 21 Unit Cell:   Length [Å] Angles [°] a = 50.86 α = 90.00  b = 58.04 β = 90.00  c = 61.66 γ = 90.00        Structure Links Hide Molecule of the Month Features: HIV-1 Protease