Structure of PDB 4c0c Chain A

Receptor sequence
>4c0cA (length=446) Species: 5693 (Trypanosoma cruzi) [Search protein sequence]
GKLPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVT
IVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLN
FLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINT
ACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSAR
CREARAELQKILGEIIVAREKEEASTSDLLGGLLKAVYRDGTRMSLHEVC
GMIVAAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNY
DNVMDEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIAC
SPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQV
KTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKK
3D structure
PDB4c0c 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
ChainA
Resolution2.04 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S296
Catalytic site (residue number reindexed from 1) S264
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 F90 Y116 A291 T295 L356 G414 F415 G416 A417 H420 K421 C422 I423 G424 F62 Y88 A259 T263 L324 G382 F383 G384 A385 H388 K389 C390 I391 G392
BS02 WVH A F48 Y103 M106 F214 A291 L356 M460 F20 Y75 M78 F186 A259 L324 M428 MOAD: Kd<10nM
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

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Cellular Component
External links
PDB RCSB:4c0c, PDBe:4c0c, PDBj:4c0c
PDBsum4c0c
PubMed25101801
UniProtQ7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)

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