PDB entry 4coh

View 4coh on RCSB PDB site
Description: Crystal structure of Trypanosoma cruzi CYP51 bound to the sulfonamide derivative of the 4-aminopyridyl-based inhibitor
Class: transferase
Keywords: transferase, cyp51, sterol 14-demethylase, sterol biosynthesis, chagas disease
Deposited on 2014-01-28, released 2014-04-02
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-06-04, with a file datestamp of 2014-05-30.
Experiment type: XRAY
Resolution: 2.08 Å
R-factor: 0.17751
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4coha_
  • Chain 'B':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4cohb_
  • Heterogens: HEM, T9H, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4cohA (A:)
    makktsskgklptdppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrv
    tivgdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltia
    kfqnfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhf
    aqllskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnn
    tsdllggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwld
    klhkeidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkg
    diiacspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktila
    tafreydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cohA (A:)
    tdppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
    fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
    vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
    paavfmpwllrlplpqsarcrearaelqkilgeiivareketsdllggllkavyrdgtrm
    slhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnvm
    dempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafpn
    prlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdpd
    yhtmvvgptlnqclvkytrkkk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4cohB (B:)
    makktsskgklptdppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrv
    tivgdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltia
    kfqnfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhf
    aqllskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnn
    tsdllggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwld
    klhkeidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkg
    diiacspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktila
    tafreydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cohB (B:)
    ptdppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsr
    ffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessl
    ipaavfmpwllrlplpqsarcrearaelqkilgeiivareketsdllggllkavyrdgtr
    mslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnv
    mdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafp
    nprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdp
    dyhtmvvgptlnqclvkytrkkklp