PDB entry 3ksw
View 3ksw on RCSB PDB site
Description: Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
Class: oxidoreductase
Keywords: STEROL 14-ALPHA DEMETHYLASE, CYP51, CYTOCHROME P450, HEME, OXIDOREDUCTASE, MONOOXYGENASE, ENDOPLASMIC RETICULUM, TRANSMEMBRANE PROTEIN, STEROL BIOSYNTHESIS, LIPIDS, MEMBRANE, IRON, HEME THIOLATE PROTEIN, Lipid synthesis, Metal-binding, NADP, Steroid biosynthesis
Deposited on
2009-11-23, released
2009-12-01
The last revision prior to the SCOPe 2.07 freeze date was dated
2011-07-13, with a file datestamp of
2011-05-08.
Experiment type: XRAY
Resolution: 3.05 Å
R-factor: 0.247
AEROSPACI score: 0.18
(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):
Domains in SCOPe 2.07: d3kswa_ - Heterogens: HEM, VNF
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3kswA (A:)
ktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkav
yrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaq
lnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshh
deeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllr
devpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh
Sequence, based on observed residues (ATOM records): (download)
>3kswA (A:)
ktppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmplplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkavyrdg
trmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnyd
nvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeea
fpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevp
dpdyhtmvvgptlnqclvkytrkk