PDB entry 5ajr

View 5ajr on RCSB PDB site
Description: Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)
Class: oxidoreductase
Keywords: cytochrome p450, cyp51, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane
Deposited on 2015-02-26, released 2015-12-02
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-02-10, with a file datestamp of 2016-02-05.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: N/A
AEROSPACI score: 0.16 (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):
    • Uniprot Q7Z1V1 (4-End)
      • expression tag (1-3)
    Domains in SCOPe 2.07: d5ajra1, d5ajra2
  • Heterogens: HEM, VT1

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5ajrA (A:)
akktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehs
rffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiq
hevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmess
lipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllk
avyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefp
aqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacsplls
hhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfql
lrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5ajrA (A:)
kktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsr
ffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
evrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessl
ipaavfmpwllrllpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkav
yrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaq
lnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshh
deeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllr
devpdpdyhtmvvgptlnqclvkytrkkk