Structure of PDB 2wuz Chain B

Receptor sequence

>2wuzB (length=444) Species: 5693 (Trypanosoma cruzi)

RPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRV
TIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQL
NFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIIN
TACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSA
RCREARAELQKILGEIIVAREKEDLLGGLLKAVYRDGTRMSLHEVCGMIV
AAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVM
DEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLL
SHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTIL
ATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKKLP

3D structure

• PDB: 2wuz Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
• Chain: B
• Resolution: 2.35 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S296
• Catalytic site (residue number reindexed from 1): S260
• Enzyme Commision number: 1.14.14.154: sterol 14alpha-demethylase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HEM	B	Y103 Y116 R124 L127 A288 A291 G292 T295 L356 R361 G414 F415 H420 C422 I423 G424	Y76 Y89 R97 L100 A252 A255 G256 T259 L320 R325 G378 F379 H384 C386 I387 G388
BS02	TPF	B	Y103 F110 A291 T295 L356 M460	Y76 F83 A255 T259 L320 M424	BindingDB: IC50=880nM,Kd=2.3e+2nM

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0005506 iron ion binding
• GO:0008398 sterol 14-demethylase activity
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0016126 sterol biosynthetic process

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:2wuz, PDBe:2wuz, PDBj:2wuz
• PDBsum: 2wuz
• PubMed: 20386598
• UniProt: Q7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)