Structure of PDB 4coh Chain A

Receptor sequence

>4cohA (length=442) Species: 5693 (Trypanosoma cruzi)

TDPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVTI
VGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLNF
LAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINTA
CQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSARC
REARAELQKILGEIIVAREKETSDLLGGLLKAVYRDGTRMSLHEVCGMIV
AAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVM
DEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLL
SHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTIL
ATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKK

3D structure

• PDB: 4coh Expanding the Binding Envelope of Cyp51 Inhibitors Targeting Trypanosoma Cruzi with 4-Aminopyridyl-Based Sulfonamide Derivatives
• Chain: A
• Resolution: 2.08 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	Y116 A288 A291 T295 L356 V359 R361 G414 F415 G416 H420 C422 I423 G424	Y87 A252 A255 T259 L320 V323 R325 G378 F379 G380 H384 C386 I387 G388
BS02	T9H	A	F48 I72 Y103 M106 F110 Y116 P210 F214 F290 A291 L356 M460	F19 I43 Y74 M77 F81 Y87 P181 F185 F254 A255 L320 M424	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

External links

• PDB: RCSB:4coh, PDBe:4coh, PDBj:4coh
• PDBsum: 4coh
• PubMed: 24771705
• UniProt: Q7Z1V1|CP51_TRYCC Sterol 14-alpha demethylase (Gene Name=CYP51)