Structure of PDB 4cka Chain A

Receptor sequence

>4ckaA (length=434) Species: 5693 (Trypanosoma cruzi)

KKTPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVT
IVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLN
FLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINT
ACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMLPQSARCREARAE
LQKILGEIIVAREKESDLLGGLLKAVYRDGTRMSLHEVCGMIVAAMFAGQ
HTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMDEMPFAE
RCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLLSHHDEEA
FPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTILATAFREY
DFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKK

3D structure

• PDB: 4cka Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
• Chain: A
• Resolution: 2.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S296
• Catalytic site (residue number reindexed from 1): S253
• 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	Y103 L127 T295 L356 V359 R361 G414 F415 H420 C422 I423 G424	Y75 L99 T252 L313 V316 R318 G371 F372 H377 C379 I380 G381
BS02	LFS	A	Y103 M106 A115 Y116 M123 Q126 L127 L130 A291	Y75 M78 A87 Y88 M95 Q98 L99 L102 A248

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:4cka, PDBe:4cka, PDBj:4cka
• PDBsum: 4cka
• PubMed: 25033013
• UniProt: Q7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)