Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4UHL

HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0020037	molecular_function	heme binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0020037	molecular_function	heme binding
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
E	0020037	molecular_function	heme binding
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
F	0020037	molecular_function	heme binding
G	0004497	molecular_function	monooxygenase activity
G	0005506	molecular_function	iron ion binding
G	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
G	0020037	molecular_function	heme binding
H	0004497	molecular_function	monooxygenase activity
H	0005506	molecular_function	iron ion binding
H	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
H	0020037	molecular_function	heme binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM A 540

Chain	Residue
A	TYR145
A	ARG382
A	PRO441
A	PHE442
A	GLY443
A	HIS447
A	CYS449
A	GLY451
A	ALA455
A	VFV580
A	HOH2036
A	PHE152
A	HOH2114
A	LYS156
A	LEU308
A	ALA311
A	THR315
A	PRO376
A	ILE377
A	MET380

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV A 580

Chain	Residue
A	TYR131
A	LEU134
A	PHE139
A	PHE152
A	LEU159
A	PHE234
A	TRP239
A	MET304
A	GLY307
A	LEU308
A	ALA311
A	ILE377
A	HEM540
A	VFV600

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE VFV A 600

Chain	Residue
A	PHE77
A	MET100
A	VAL101
A	PHE105
A	TYR107
A	HIS236
A	TRP239
A	ILE379
A	VFV580
A	HOH2074
F	LEU245
F	PRO246
F	LEU247

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM B 540

Chain	Residue
B	TYR145
B	PHE152
B	LYS156
B	LEU308
B	ALA311
B	THR315
B	PRO376
B	ILE377
B	MET380
B	ARG382
B	PRO441
B	PHE442
B	GLY443
B	HIS447
B	CYS449
B	GLY451
B	PHE454
B	ALA455
B	VFV580
B	HOH2052
B	HOH2144

site_id	AC5
Number of Residues	17
Details	BINDING SITE FOR RESIDUE VFV B 580

Chain	Residue
B	TYR131
B	LEU134
B	PHE139
B	ALA144
B	PHE152
B	LEU159
B	PHE234
B	TRP239
B	MET304
B	GLY307
B	LEU308
B	ALA311
B	THR315
B	ILE377
B	MET487
B	HEM540
B	VFV600

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE VFV B 600

Chain	Residue
B	PHE77
B	MET100
B	VAL101
B	PHE105
B	TYR107
B	HIS236
B	TRP239
B	ILE379
B	MET381
B	MET487
B	VFV580
H	PRO246
H	LEU247

site_id	AC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM C 540

Chain	Residue
C	PHE152
C	LYS156
C	LEU308
C	ALA311
C	THR315
C	PRO376
C	ILE377
C	MET380
C	ARG382
C	PRO441
C	PHE442
C	GLY443
C	HIS447
C	ARG448
C	CYS449
C	GLY451
C	PHE454
C	ALA455
C	VFV580
C	HOH2132
C	TYR145

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV C 580

Chain	Residue
C	TYR131
C	LEU134
C	PHE139
C	PHE152
C	LEU159
C	PHE234
C	TRP239
C	MET304
C	GLY307
C	LEU308
C	ALA311
C	HEM540
C	VFV600
C	HOH2039

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV C 600

Chain	Residue
C	PHE77
C	MET100
C	VAL101
C	PHE105
C	TYR107
C	HIS236
C	TRP239
C	ILE377
C	ILE379
C	MET381
C	VFV580
C	HOH2077
D	PRO246
D	LEU247

site_id	BC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM D 540

Chain	Residue
D	TYR145
D	PHE152
D	LYS156
D	LEU308
D	ALA311
D	THR315
D	PRO376
D	ILE377
D	MET380
D	ARG382
D	PRO441
D	PHE442
D	HIS447
D	CYS449
D	ILE450
D	GLY451
D	ALA455
D	VFV580
D	HOH2028
D	HOH2037
D	HOH2131

site_id	BC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE VFV D 580

Chain	Residue
D	LEU134
D	PHE139
D	PHE152
D	LEU159
D	PHE234
D	TRP239
D	MET304
D	GLY307
D	LEU308
D	LEU310
D	ALA311
D	HEM540
D	VFV600

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV D 600

Chain	Residue
C	PRO246
C	LEU247
D	PHE77
D	MET100
D	VAL101
D	PHE105
D	TYR107
D	HIS236
D	TRP239
D	ILE379
D	MET381
D	ILE488
D	VFV580
D	HOH2079

site_id	BC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM E 540

Chain	Residue
E	TYR145
E	PHE152
E	LYS156
E	LEU308
E	ALA311
E	THR315
E	PRO376
E	ILE377
E	MET380
E	ARG382
E	PRO441
E	PHE442
E	HIS447
E	CYS449
E	ILE450
E	VFV580
E	HOH2030
E	HOH2106

site_id	BC5
Number of Residues	18
Details	BINDING SITE FOR RESIDUE VFV E 580

Chain	Residue
E	TYR131
E	LEU134
E	PHE139
E	PHE152
E	LEU159
E	PHE234
E	TRP239
E	MET304
E	GLY307
E	LEU308
E	LEU310
E	ALA311
E	THR315
E	ILE377
E	MET487
E	HEM540
E	VFV600
E	HOH2029

site_id	BC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE VFV E 600

Chain	Residue
E	PHE77
E	MET100
E	PHE105
E	TYR107
E	HIS236
E	TRP239
E	ILE379
E	MET381
E	VFV580
E	HOH2060
G	LEU245
G	PRO246
G	LEU247

site_id	BC7
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM F 540

Chain	Residue
F	TYR131
F	TYR145
F	PHE152
F	LYS156
F	ALA311
F	THR315
F	PRO376
F	ILE377
F	MET380
F	ARG382
F	PRO441
F	PHE442
F	HIS447
F	ARG448
F	CYS449
F	ILE450
F	GLY451
F	VFV580
F	HOH2012

site_id	BC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV F 580

Chain	Residue
F	TYR131
F	LEU134
F	PHE139
F	LEU159
F	PHE234
F	TRP239
F	MET304
F	GLY307
F	LEU308
F	ALA311
F	THR315
F	MET487
F	HEM540
F	VFV600

site_id	BC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV F 600

Chain	Residue
A	LEU245
A	PRO246
A	LEU247
F	MET100
F	VAL101
F	PHE105
F	TYR107
F	HIS236
F	TRP239
F	ILE377
F	ILE379
F	MET381
F	MET487
F	VFV580

site_id	CC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM G 540

Chain	Residue
G	TYR145
G	PHE152
G	LYS156
G	ALA311
G	THR315
G	PRO376
G	ILE377
G	MET380
G	ARG382
G	PRO441
G	PHE442
G	GLY443
G	HIS447
G	ARG448
G	CYS449
G	VFV580
G	HOH2041

site_id	CC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE VFV G 580

Chain	Residue
G	TYR131
G	LEU134
G	THR135
G	PHE139
G	PHE152
G	LEU159
G	PHE234
G	TRP239
G	MET304
G	GLY307
G	LEU308
G	ALA311
G	THR315
G	HEM540
G	VFV600

site_id	CC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE VFV G 600

Chain	Residue
E	PRO246
E	LEU247
G	PHE77
G	MET100
G	VAL101
G	PHE105
G	TYR107
G	HIS236
G	TRP239
G	ILE379
G	MET381
G	VFV580
G	HOH2114

site_id	CC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM H 540

Chain	Residue
H	TYR145
H	PHE152
H	LYS156
H	LEU308
H	ALA311
H	GLY312
H	THR315
H	MET380
H	ARG382
H	PRO441
H	PHE442
H	GLY443
H	HIS447
H	CYS449
H	GLY451
H	ALA455
H	VFV580
H	HOH2026
H	HOH2077

site_id	CC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE VFV H 580

Chain	Residue
H	LEU134
H	THR135
H	PHE139
H	PHE152
H	LEU159
H	PHE234
H	TRP239
H	MET304
H	GLY307
H	LEU308
H	ALA311
H	THR315
H	MET487
H	HEM540
H	VFV600

site_id	CC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE VFV H 600

Chain	Residue
B	PRO246
B	LEU247
H	PHE77
H	MET100
H	VAL101
H	PHE105
H	TYR107
H	HIS236
H	TRP239
H	ILE379
H	MET381
H	MET487
H	ILE488
H	VFV580

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE442-GLY451

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTASHC

Chain	Residue	Details
A	LEU204-CYS209

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"20149798","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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