PDB entry 3ksw

View 3ksw on RCSB PDB site
Description: Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
Class: oxidoreductase
Keywords: STEROL 14-ALPHA DEMETHYLASE, CYP51, CYTOCHROME P450, HEME, OXIDOREDUCTASE, MONOOXYGENASE, ENDOPLASMIC RETICULUM, TRANSMEMBRANE PROTEIN, STEROL BIOSYNTHESIS, LIPIDS, MEMBRANE, IRON, HEME THIOLATE PROTEIN, Lipid synthesis, Metal-binding, NADP, Steroid biosynthesis
Deposited on 2009-11-23, released 2009-12-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 3.05 Å
R-factor: 0.247
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: cyp51
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5I4E1 (0-End)
      • engineered (0-1)
    Domains in SCOPe 2.07: d3kswa_
  • Heterogens: HEM, VNF

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3kswA (A:)
    ktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
    fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
    vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
    paavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkav
    yrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaq
    lnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshh
    deeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllr
    devpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kswA (A:)
    ktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
    fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
    vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
    paavfmplplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkavyrdg
    trmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnyd
    nvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeea
    fpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevp
    dpdyhtmvvgptlnqclvkytrkk