PDB entry 4uqh

View 4uqh on RCSB PDB site
Description: Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Class: oxidoreductase
Keywords: oxidoreductase, sterol biosynthesis, chagas disease
Deposited on 2014-06-23, released 2014-08-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-09-10, with a file datestamp of 2014-09-05.
Experiment type: XRAY
Resolution: 2.43 Å
R-factor: 0.19715
AEROSPACI score: 0.27 (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 Q5I4E1 (11-End)
      • expression tag (7-10)
    Domains in SCOPe 2.06: d4uqha1, d4uqha2
  • Heterogens: HEM, SO4, 25S, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4uqhA (A:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4uqhA (A:)
kgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehs
rffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiq
hevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmess
lipaavfmpwllrlplpqsarcrearaelqkilgeiivareketsdllggllkavyrdgt
rmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydn
vmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeaf
pnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpd
pdyhtmvvgptlnqclvkytrkk