PDB entry 3k1o

View 3k1o on RCSB PDB site
Description: Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
Class: oxidoreductase
Keywords: sterol 14-alpha demethylase, eburicol 14a-demethylase, CYP51, cytochrome P450, heme, oxidoreductase, monooxygenase, endoplasmic reticulum, transmembrane protein, sterol biosynthesis, lipids, membrane, Iron, heme-thiolate protein
Deposited on 2009-09-28, released 2009-10-27
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.89 Å
R-factor: 0.23
AEROSPACI score: 0.23 (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 (1-End)
      • engineered (0-1)
    Domains in SCOPe 2.03: d3k1oa_
  • Heterogens: HEM, POZ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3k1oA (A:)
    ktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
    fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
    vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
    paavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkav
    yrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaq
    lnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshh
    deeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllr
    devpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3k1oA (A:)
    ktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
    fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
    vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
    paavfmplplpqsarcrearaelqkilgeiivarekeeaskntsdllggllkavyrdgtr
    mslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnv
    mdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafp
    nprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdp
    dyhtmvvgptlnqclvkytrkk