Structure of PDB 4ck8 Chain A

Receptor sequence

>4ck8A (length=449) Species: 5693 (Trypanosoma cruzi)

KKTPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVT
IVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLN
FLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINT
ACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLLPQSARC
REARAELQKILGEIIVAREKEEASKDNNTSDLLGGLLKAVYRDGTRMSLH
EVCGMIVAAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQ
LNYDNVMDEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDI
IACSPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFAL
LQVKTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKK

3D structure

• PDB: 4ck8 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: 2.62 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S296
• Catalytic site (residue number reindexed from 1): S267
• 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 A291 G292 T295 L356 V359 G414 F415 H420 C422 G424	Y75 A262 G263 T266 L327 V330 G385 F386 H391 C393 G395
BS02	LFD	A	I45 F48 G49 F110 P210 V213 F290 A291 T295 M460	I17 F20 G21 F82 P182 V185 F261 A262 T266 M431

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:4ck8, PDBe:4ck8, PDBj:4ck8
• PDBsum: 4ck8
• PubMed: 25033013
• UniProt: Q7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)