4BMM

Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide

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	0008202	biological_process	steroid metabolic process
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	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	0008202	biological_process	steroid metabolic process
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	0046872	molecular_function	metal ion binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0006629	biological_process	lipid metabolic process
C	0006694	biological_process	steroid biosynthetic process
C	0008202	biological_process	steroid metabolic process
C	0008398	molecular_function	sterol 14-demethylase activity
C	0016020	cellular_component	membrane
C	0016126	biological_process	sterol biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding
C	0046872	molecular_function	metal ion binding
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0006629	biological_process	lipid metabolic process
D	0006694	biological_process	steroid biosynthetic process
D	0008202	biological_process	steroid metabolic process
D	0008398	molecular_function	sterol 14-demethylase activity
D	0016020	cellular_component	membrane
D	0016126	biological_process	sterol biosynthetic process
D	0016491	molecular_function	oxidoreductase activity
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0020037	molecular_function	heme binding
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM A 1450

Chain	Residue
A	TYR103
A	VAL359
A	ARG361
A	GLY414
A	PHE415
A	GLY416
A	HIS420
A	CYS422
A	ILE423
A	TU11460
A	TYR116
A	LEU127
A	LEU134
A	ALA288
A	ALA291
A	GLY292
A	THR295
A	THR299

---

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TU1 A 1460

Chain	Residue
A	TYR103
A	MET106
A	PHE110
A	TYR116
A	PHE214
A	ALA291
A	LEU356
A	MET358
A	MET360
A	MET460
A	HEM1450
C	PRO222

---

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM B 1450

Chain	Residue
B	PHE90
B	TYR103
B	TYR116
B	LEU134
B	ALA288
B	ALA291
B	THR295
B	LEU356
B	VAL359
B	ARG361
B	GLY414
B	PHE415
B	GLY416
B	HIS420
B	CYS422
B	ILE423
B	TU11460

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TU1 B 1460

Chain	Residue
B	TYR103
B	MET106
B	TYR116
B	PRO210
B	PHE214
B	ALA291
B	LEU356
B	MET460
B	HEM1450

---

site_id	AC5
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM C 1450

Chain	Residue
C	TYR103
C	ARG124
C	LEU127
C	ALA288
C	ALA291
C	GLY292
C	THR295
C	THR299
C	ARG361
C	GLY414
C	PHE415
C	GLY416
C	HIS420
C	CYS422
C	ILE423
C	GLY424
C	TU11460

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE TU1 C 1460

Chain	Residue
C	TYR103
C	MET106
C	PHE110
C	TYR116
C	VAL213
C	PHE214
C	PHE290
C	ALA291
C	LEU356
C	MET360
C	MET460
C	VAL461
C	HEM1450

---

site_id	AC7
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM D 1450

Chain	Residue
D	HIS420
D	CYS422
D	ILE423
D	TU11460
D	TYR103
D	TYR116
D	LEU134
D	ALA288
D	GLY292
D	THR295
D	THR299
D	LEU356
D	VAL359
D	ARG361
D	GLY414
D	PHE415
D	GLY416

---

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TU1 D 1460

Chain	Residue
D	TYR103
D	MET106
D	TYR116
D	PHE214
D	PHE290
D	ALA291
D	LEU356
D	MET358
D	MET360
D	MET460
D	HEM1450

---

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	4
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"UniProtKB","id":"P0A512","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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