2WX2

X-RAY STRUCTURE OF CYP51 FROM THE HUMAN PATHOGEN TRYPANOSOMA CRUZI IN COMPLEX WITH FLUCONAZOLE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0006629	biological_process	lipid metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0006699	biological_process	bile acid biosynthetic process
A	0008202	biological_process	steroid metabolic process
A	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
A	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
A	0008398	molecular_function	sterol 14-demethylase activity
A	0016020	cellular_component	membrane
A	0016126	biological_process	sterol biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
A	0042632	biological_process	cholesterol homeostasis
A	0046872	molecular_function	metal ion binding
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0006629	biological_process	lipid metabolic process
B	0006694	biological_process	steroid biosynthetic process
B	0006699	biological_process	bile acid biosynthetic process
B	0008202	biological_process	steroid metabolic process
B	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
B	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
B	0008398	molecular_function	sterol 14-demethylase activity
B	0016020	cellular_component	membrane
B	0016126	biological_process	sterol biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0020037	molecular_function	heme binding
B	0042632	biological_process	cholesterol homeostasis
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM A 1450

Chain	Residue
A	TYR103
A	THR299
A	LEU356
A	VAL359
A	ARG361
A	GLY414
A	PHE415
A	GLY416
A	HIS420
A	CYS422
A	ILE423
A	TYR116
A	ALA428
A	TPF1460
A	HOH2212
A	HOH2214
A	HOH2215
A	LEU127
A	LEU134
A	ALA288
A	ALA291
A	GLY292
A	THR295
A	SER296

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TPF A 1460

Chain	Residue
A	TYR103
A	MET106
A	TYR116
A	ALA287
A	PHE290
A	ALA291
A	LEU356
A	HEM1450
A	HOH2214
A	HOH2216
A	HOH2217

---

site_id	AC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM B 1450

Chain	Residue
B	TYR103
B	TYR116
B	LEU127
B	ALA288
B	ALA291
B	GLY292
B	THR295
B	SER296
B	THR299
B	LEU356
B	VAL359
B	ARG361
B	GLY414
B	PHE415
B	GLY416
B	HIS420
B	CYS422
B	ILE423
B	GLY424
B	TPF1460
B	HOH2035
B	HOH2211

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TPF B 1460

Chain	Residue
B	TYR103
B	PHE110
B	TYR116
B	ALA287
B	ALA291
B	LEU356
B	HEM1450
B	HOH2035
B	HOH2212

---

Functional Information from PROSITE/UniProt

site_id	PS00086
Number of Residues	10
Details	CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGVHKCIG

Chain	Residue	Details
A	PHE415-GLY424

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: axial binding residue => ECO:0000250|UniProtKB:P0A512

Chain	Residue	Details
A	CYS422
B	CYS422

---