Structure of PDB 4uvr Chain A

Receptor sequence

>4uvrA (length=439) Species: 5693 (Trypanosoma cruzi)

GKLPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVT
IVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLN
FLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINT
ACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSAR
CREARAELQKILGEIIVAREKSDLLGGLLKAVYRDGTRMSLHEVCGMIVA
AMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMD
EMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLLS
HHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTILA
TAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRK

3D structure

• PDB: 4uvr Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
• Chain: A
• Resolution: 2.48 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S296
• Catalytic site (residue number reindexed from 1): S259
• 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	Y116 L127 A288 A291 T295 L356 V359 R361 G414 F415 H420 C422 I423 G424	Y88 L99 A251 A254 T258 L319 V322 R324 G377 F378 H383 C385 I386 G387
BS02	J5Y	A	F48 Y103 M106 F214 F290 A291 L356 M358 M360 M460	F20 Y75 M78 F186 F253 A254 L319 M321 M323 M423

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:4uvr, PDBe:4uvr, PDBj:4uvr
• PDBsum: 4uvr
• PubMed: 25393646
• UniProt: Q7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)