Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6UX0

Isavuconazole bound complex of Acanthamoeba castellanii CYP51

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0006699	biological_process	bile acid biosynthetic process
A	0008168	molecular_function	methyltransferase activity
A	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
A	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
A	0016020	cellular_component	membrane
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
A	0032259	biological_process	methylation
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	0006699	biological_process	bile acid biosynthetic process
B	0008168	molecular_function	methyltransferase activity
B	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
B	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
B	0016020	cellular_component	membrane
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0020037	molecular_function	heme binding
B	0032259	biological_process	methylation
B	0042632	biological_process	cholesterol homeostasis
B	0046872	molecular_function	metal ion binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0006699	biological_process	bile acid biosynthetic process
C	0008168	molecular_function	methyltransferase activity
C	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
C	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
C	0016020	cellular_component	membrane
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding
C	0032259	biological_process	methylation
C	0042632	biological_process	cholesterol homeostasis
C	0046872	molecular_function	metal ion binding
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0006699	biological_process	bile acid biosynthetic process
D	0008168	molecular_function	methyltransferase activity
D	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
D	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
D	0016020	cellular_component	membrane
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0020037	molecular_function	heme binding
D	0032259	biological_process	methylation
D	0042632	biological_process	cholesterol homeostasis
D	0046872	molecular_function	metal ion binding
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0006699	biological_process	bile acid biosynthetic process
E	0008168	molecular_function	methyltransferase activity
E	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
E	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
E	0016020	cellular_component	membrane
E	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
E	0020037	molecular_function	heme binding
E	0032259	biological_process	methylation
E	0042632	biological_process	cholesterol homeostasis
E	0046872	molecular_function	metal ion binding
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0006699	biological_process	bile acid biosynthetic process
F	0008168	molecular_function	methyltransferase activity
F	0008387	molecular_function	steroid 7-alpha-hydroxylase activity
F	0008396	molecular_function	oxysterol 7-alpha-hydroxylase activity
F	0016020	cellular_component	membrane
F	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
F	0020037	molecular_function	heme binding
F	0032259	biological_process	methylation
F	0042632	biological_process	cholesterol homeostasis
F	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 501

Chain	Residue
A	GLN110
A	LEU357
A	ARG368
A	GLY426
A	PHE427
A	GLY428
A	HIS432
A	GLY433
A	CYS434
A	QKM502
A	TYR114
A	TYR127
A	LEU138
A	LEU291
A	ALA294
A	GLY295
A	THR298
A	SER299

site_id	AC2
Number of Residues	10
Details	binding site for residue QKM A 502

Chain	Residue
A	TYR114
A	PHE121
A	TYR127
A	ALA290
A	PHE293
A	ALA294
A	THR298
A	LEU363
A	PHE365
A	HEM501

site_id	AC3
Number of Residues	18
Details	binding site for residue HEM B 501

Chain	Residue
B	GLN110
B	TYR114
B	TYR127
B	LEU145
B	LEU291
B	THR298
B	SER299
B	LEU357
B	LEU363
B	ARG368
B	GLY426
B	PHE427
B	GLY428
B	HIS432
B	GLY433
B	CYS434
B	GLY436
B	QKM502

site_id	AC4
Number of Residues	9
Details	binding site for residue QKM B 502

Chain	Residue
B	TYR114
B	TYR127
B	ALA290
B	PHE293
B	ALA294
B	THR298
B	LEU363
B	PHE365
B	HEM501

site_id	AC5
Number of Residues	2
Details	binding site for residue FE B 503

Chain	Residue
B	PHE84
C	PHE84

site_id	AC6
Number of Residues	15
Details	binding site for residue HEM C 501

Chain	Residue
C	GLN110
C	TYR114
C	TYR127
C	LEU138
C	THR298
C	SER299
C	ARG368
C	GLY426
C	PHE427
C	GLY428
C	HIS432
C	CYS434
C	GLY436
C	PHE439
C	QKM502

site_id	AC7
Number of Residues	12
Details	binding site for residue QKM C 502

Chain	Residue
C	TYR114
C	PHE116
C	PHE121
C	TYR127
C	ALA290
C	PHE293
C	ALA294
C	THR298
C	LEU363
C	MET367
C	MET471
C	HEM501

site_id	AC8
Number of Residues	19
Details	binding site for residue HEM D 501

Chain	Residue
D	HIS432
D	CYS434
D	MET435
D	QKM502
D	GLN110
D	TYR114
D	TYR127
D	LEU138
D	LEU145
D	LEU291
D	THR298
D	SER299
D	THR302
D	LEU357
D	VAL366
D	ARG368
D	GLY426
D	PHE427
D	GLY428

site_id	AC9
Number of Residues	13
Details	binding site for residue QKM D 502

Chain	Residue
D	TYR114
D	PHE116
D	PHE121
D	TYR127
D	ALA290
D	PHE293
D	ALA294
D	THR298
D	LEU363
D	PHE365
D	MET367
D	MET471
D	HEM501

site_id	AD1
Number of Residues	18
Details	binding site for residue HEM E 501

Chain	Residue
E	GLN110
E	TYR114
E	LEU138
E	LEU291
E	THR298
E	SER299
E	LEU357
E	VAL366
E	ARG368
E	GLY426
E	PHE427
E	GLY428
E	HIS432
E	GLY433
E	CYS434
E	MET435
E	GLY436
E	QKM502

site_id	AD2
Number of Residues	11
Details	binding site for residue QKM E 502

Chain	Residue
E	TYR114
E	TYR127
E	ALA290
E	PHE293
E	ALA294
E	THR298
E	LEU363
E	PHE365
E	MET367
E	MET471
E	HEM501

site_id	AD3
Number of Residues	17
Details	binding site for residue HEM F 501

Chain	Residue
F	GLN110
F	TYR114
F	TYR127
F	LEU291
F	THR298
F	SER299
F	LEU357
F	LEU363
F	ARG368
F	GLY426
F	PHE427
F	HIS432
F	GLY433
F	CYS434
F	GLY436
F	ALA440
F	QKM502

site_id	AD4
Number of Residues	10
Details	binding site for residue QKM F 502

Chain	Residue
F	TYR114
F	PHE116
F	PHE121
F	ALA290
F	PHE293
F	ALA294
F	THR298
F	PHE365
F	MET471
F	HEM501

site_id	AD5
Number of Residues	2
Details	binding site for residue FE F 503

Chain	Residue
E	PHE84
F	PHE84

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE427-GLY436

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)