Structure of PDB 2wx2 Chain A

Receptor sequence

>2wx2A (length=441) Species: 5693 (Trypanosoma cruzi)

TTRPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQ
RVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMRE
QLNFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMI
INTACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPR
CREARAELQKILGEIIVAREKESDLLGGLLKAVYRDGTRMSLHEVCGMIV
AAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVM
DEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLL
SHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTIL
ATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKK

3D structure

• PDB: 2wx2 Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
• Chain: A
• Resolution: 2.27 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	A	L127 L134 A291 G292 T295 L356 V359 R361 G414 F415 H420 C422 I423 G424	L102 L109 A255 G256 T259 L320 V323 R325 G378 F379 H384 C386 I387 G388
BS02	TPF	A	M106 Y116 A291 L356	M81 Y91 A255 L320	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:2wx2, PDBe:2wx2, PDBj:2wx2
• PDBsum: 2wx2
• PubMed: 20386598
• UniProt: Q7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)