PDB entry 4by0

View 4by0 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)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide
Class: oxidoreductase
Keywords: oxidoreductase, sterol 14-demethylase, sterol biosynthesis, chagas disease
Deposited on 2013-07-16, released 2014-01-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-18, with a file datestamp of 2014-06-13.
Experiment type: XRAY
Resolution: 3.1 Å
R-factor: 0.23545
AEROSPACI score: 0.12 (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 (9-10)
    Domains in SCOPe 2.08: d4by0a1, d4by0a2
  • Chain 'B':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5I4E1 (11-End)
      • expression tag (9-10)
    Domains in SCOPe 2.08: d4by0b1, d4by0b2
  • Heterogens: HEM, 5PS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4by0A (A:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4by0A (A:)
klppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeetsdllggllkavyrdgtr
mslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnv
mdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafp
nprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdp
dyhtmvvgptlnqclvkytrk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4by0B (B:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4by0B (B:)
klppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeeatsdllggllkavyrdgt
rmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydn
vmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeaf
pnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpd
pdyhtmvvgptlnqclvkytrk