Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4BF4

PikC D50N mutant in complex with the engineered cycloalkane substrate mimic bearing a termianl N,N-dimethylamino group

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0006707	biological_process	cholesterol catabolic process
A	0008395	molecular_function	steroid hydroxylase activity
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0017000	biological_process	antibiotic biosynthetic process
A	0020037	molecular_function	heme binding
A	0033068	biological_process	macrolide biosynthetic process
A	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
A	0046872	molecular_function	metal ion binding
A	0055114	biological_process	obsolete oxidation-reduction process
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0006707	biological_process	cholesterol catabolic process
B	0008395	molecular_function	steroid hydroxylase activity
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0017000	biological_process	antibiotic biosynthetic process
B	0020037	molecular_function	heme binding
B	0033068	biological_process	macrolide biosynthetic process
B	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
B	0046872	molecular_function	metal ion binding
B	0055114	biological_process	obsolete oxidation-reduction process
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0006707	biological_process	cholesterol catabolic process
C	0008395	molecular_function	steroid hydroxylase activity
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0017000	biological_process	antibiotic biosynthetic process
C	0020037	molecular_function	heme binding
C	0033068	biological_process	macrolide biosynthetic process
C	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
C	0046872	molecular_function	metal ion binding
C	0055114	biological_process	obsolete oxidation-reduction process
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0006707	biological_process	cholesterol catabolic process
D	0008395	molecular_function	steroid hydroxylase activity
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0017000	biological_process	antibiotic biosynthetic process
D	0020037	molecular_function	heme binding
D	0033068	biological_process	macrolide biosynthetic process
D	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
D	0046872	molecular_function	metal ion binding
D	0055114	biological_process	obsolete oxidation-reduction process
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0006707	biological_process	cholesterol catabolic process
E	0008395	molecular_function	steroid hydroxylase activity
E	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
E	0017000	biological_process	antibiotic biosynthetic process
E	0020037	molecular_function	heme binding
E	0033068	biological_process	macrolide biosynthetic process
E	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
E	0046872	molecular_function	metal ion binding
E	0055114	biological_process	obsolete oxidation-reduction process
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0006707	biological_process	cholesterol catabolic process
F	0008395	molecular_function	steroid hydroxylase activity
F	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
F	0017000	biological_process	antibiotic biosynthetic process
F	0020037	molecular_function	heme binding
F	0033068	biological_process	macrolide biosynthetic process
F	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
F	0046872	molecular_function	metal ion binding
F	0055114	biological_process	obsolete oxidation-reduction process
G	0004497	molecular_function	monooxygenase activity
G	0005506	molecular_function	iron ion binding
G	0006707	biological_process	cholesterol catabolic process
G	0008395	molecular_function	steroid hydroxylase activity
G	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
G	0017000	biological_process	antibiotic biosynthetic process
G	0020037	molecular_function	heme binding
G	0033068	biological_process	macrolide biosynthetic process
G	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
G	0046872	molecular_function	metal ion binding
G	0055114	biological_process	obsolete oxidation-reduction process
H	0004497	molecular_function	monooxygenase activity
H	0005506	molecular_function	iron ion binding
H	0006707	biological_process	cholesterol catabolic process
H	0008395	molecular_function	steroid hydroxylase activity
H	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
H	0017000	biological_process	antibiotic biosynthetic process
H	0020037	molecular_function	heme binding
H	0033068	biological_process	macrolide biosynthetic process
H	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
H	0046872	molecular_function	metal ion binding
H	0055114	biological_process	obsolete oxidation-reduction process
I	0004497	molecular_function	monooxygenase activity
I	0005506	molecular_function	iron ion binding
I	0006707	biological_process	cholesterol catabolic process
I	0008395	molecular_function	steroid hydroxylase activity
I	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
I	0017000	biological_process	antibiotic biosynthetic process
I	0020037	molecular_function	heme binding
I	0033068	biological_process	macrolide biosynthetic process
I	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
I	0046872	molecular_function	metal ion binding
I	0055114	biological_process	obsolete oxidation-reduction process
J	0004497	molecular_function	monooxygenase activity
J	0005506	molecular_function	iron ion binding
J	0006707	biological_process	cholesterol catabolic process
J	0008395	molecular_function	steroid hydroxylase activity
J	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
J	0017000	biological_process	antibiotic biosynthetic process
J	0020037	molecular_function	heme binding
J	0033068	biological_process	macrolide biosynthetic process
J	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
J	0046872	molecular_function	metal ion binding
J	0055114	biological_process	obsolete oxidation-reduction process
K	0004497	molecular_function	monooxygenase activity
K	0005506	molecular_function	iron ion binding
K	0006707	biological_process	cholesterol catabolic process
K	0008395	molecular_function	steroid hydroxylase activity
K	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
K	0017000	biological_process	antibiotic biosynthetic process
K	0020037	molecular_function	heme binding
K	0033068	biological_process	macrolide biosynthetic process
K	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
K	0046872	molecular_function	metal ion binding
K	0055114	biological_process	obsolete oxidation-reduction process
L	0004497	molecular_function	monooxygenase activity
L	0005506	molecular_function	iron ion binding
L	0006707	biological_process	cholesterol catabolic process
L	0008395	molecular_function	steroid hydroxylase activity
L	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
L	0017000	biological_process	antibiotic biosynthetic process
L	0020037	molecular_function	heme binding
L	0033068	biological_process	macrolide biosynthetic process
L	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
L	0046872	molecular_function	metal ion binding
L	0055114	biological_process	obsolete oxidation-reduction process
M	0004497	molecular_function	monooxygenase activity
M	0005506	molecular_function	iron ion binding
M	0006707	biological_process	cholesterol catabolic process
M	0008395	molecular_function	steroid hydroxylase activity
M	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
M	0017000	biological_process	antibiotic biosynthetic process
M	0020037	molecular_function	heme binding
M	0033068	biological_process	macrolide biosynthetic process
M	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
M	0046872	molecular_function	metal ion binding
M	0055114	biological_process	obsolete oxidation-reduction process
N	0004497	molecular_function	monooxygenase activity
N	0005506	molecular_function	iron ion binding
N	0006707	biological_process	cholesterol catabolic process
N	0008395	molecular_function	steroid hydroxylase activity
N	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
N	0017000	biological_process	antibiotic biosynthetic process
N	0020037	molecular_function	heme binding
N	0033068	biological_process	macrolide biosynthetic process
N	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
N	0046872	molecular_function	metal ion binding
N	0055114	biological_process	obsolete oxidation-reduction process
O	0004497	molecular_function	monooxygenase activity
O	0005506	molecular_function	iron ion binding
O	0006707	biological_process	cholesterol catabolic process
O	0008395	molecular_function	steroid hydroxylase activity
O	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
O	0017000	biological_process	antibiotic biosynthetic process
O	0020037	molecular_function	heme binding
O	0033068	biological_process	macrolide biosynthetic process
O	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
O	0046872	molecular_function	metal ion binding
O	0055114	biological_process	obsolete oxidation-reduction process
P	0004497	molecular_function	monooxygenase activity
P	0005506	molecular_function	iron ion binding
P	0006707	biological_process	cholesterol catabolic process
P	0008395	molecular_function	steroid hydroxylase activity
P	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
P	0017000	biological_process	antibiotic biosynthetic process
P	0020037	molecular_function	heme binding
P	0033068	biological_process	macrolide biosynthetic process
P	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
P	0046872	molecular_function	metal ion binding
P	0055114	biological_process	obsolete oxidation-reduction process

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM A 1407

Chain	Residue
A	LYS72
A	PRO289
A	THR294
A	ARG296
A	ALA346
A	PHE347
A	GLY348
A	ILE351
A	HIS352
A	CYS354
A	ALA360
A	MET92
A	LEU93
A	HIS100
A	ARG104
A	ALA243
A	THR247
A	THR248
A	LEU251

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1408

Chain	Residue
A	ARG62
A	HIS349
E	ARG227

site_id	AC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM B 1407

Chain	Residue
B	LYS72
B	MET92
B	LEU93
B	HIS100
B	ARG104
B	PHE111
B	ALA243
B	GLY244
B	THR247
B	THR248
B	LEU251
B	PRO289
B	ALA293
B	THR294
B	ARG296
B	ALA346
B	PHE347
B	HIS352
B	CYS354
B	ILE355
B	ALA360
B	HOH2028

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 1408

Chain	Residue
B	ARG227
E	ARG62

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1409

Chain	Residue
B	ARG62
M	THR220
M	ARG227

site_id	AC6
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM C 1407

Chain	Residue
C	LYS72
C	MET92
C	LEU93
C	HIS100
C	ARG104
C	PHE111
C	LEU240
C	GLY244
C	THR247
C	THR248
C	LEU251
C	PRO289
C	ALA293
C	THR294
C	ARG296
C	ALA346
C	PHE347
C	GLY348
C	ILE351
C	HIS352
C	CYS354
C	ILE355
C	ALA360
C	17Q1410

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 17Q C 1410

Chain	Residue
C	GLU85
C	ASN89
C	LEU93
C	GLU94
C	ILE239
C	ALA243
C	THR247
C	HEM1407

site_id	AC8
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM D 1407

Chain	Residue
D	CYS354
D	ILE355
D	ALA360
D	HOH2044
D	MET92
D	LEU93
D	HIS100
D	ARG104
D	LEU240
D	ALA243
D	GLY244
D	THR247
D	LEU251
D	PRO289
D	VAL290
D	ALA293
D	THR294
D	ARG296
D	ALA346
D	PHE347
D	GLY348
D	HIS352

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 1408

Chain	Residue
D	THR341
D	GLY343
D	HIS344
D	ARG361
H	GLU223
H	ASP224

site_id	BC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM E 1407

Chain	Residue
E	MET92
E	LEU93
E	HIS100
E	ARG104
E	PHE111
E	ALA243
E	GLY244
E	THR247
E	THR248
E	LEU251
E	PRO289
E	ALA293
E	THR294
E	ARG296
E	ALA346
E	PHE347
E	ILE351
E	HIS352
E	CYS354
E	ILE355
E	ALA360

site_id	BC2
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM F 1407

Chain	Residue
F	LYS72
F	MET92
F	LEU93
F	HIS100
F	ARG104
F	PHE111
F	ALA243
F	THR247
F	THR248
F	LEU251
F	PRO289
F	VAL290
F	ALA293
F	THR294
F	ARG296
F	ALA346
F	PHE347
F	GLY348
F	ILE351
F	HIS352
F	CYS354
F	ILE355
F	GLY356
F	ALA360

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 1408

Chain	Residue
F	ARG62
F	HIS349
K	THR220
K	ARG227

site_id	BC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM G 1407

Chain	Residue
G	MET92
G	LEU93
G	HIS100
G	ARG104
G	PHE111
G	ALA243
G	GLY244
G	THR247
G	THR248
G	LEU251
G	PRO289
G	ALA293
G	THR294
G	ARG296
G	ALA346
G	PHE347
G	ILE351
G	HIS352
G	CYS354
G	ILE355
G	ALA360
G	17Q1410

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 17Q G 1410

Chain	Residue
G	GLU85
G	LEU93
G	GLU94
G	ILE239
G	ALA243
G	THR247
G	HEM1407

site_id	BC6
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM H 1407

Chain	Residue
H	LYS72
H	MET92
H	LEU93
H	HIS100
H	ARG104
H	PHE111
H	ALA243
H	GLY244
H	THR247
H	THR248
H	LEU251
H	PRO289
H	ALA293
H	THR294
H	ARG296
H	ALA346
H	PHE347
H	GLY348
H	HIS352
H	CYS354
H	ILE355
H	ALA360

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 H 1408

Chain	Residue
C	LEU106
C	ARG227
H	ARG62

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 H 1409

Chain	Residue
D	ARG62
H	THR220
H	ARG227

site_id	BC9
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM I 1407

Chain	Residue
I	MET92
I	LEU93
I	HIS100
I	ARG104
I	PHE111
I	ALA243
I	GLY244
I	THR247
I	THR248
I	LEU251
I	PRO289
I	ALA293
I	THR294
I	ARG296
I	ALA346
I	PHE347
I	GLY348
I	HIS352
I	CYS354
I	ILE355
I	GLY356
I	ALA360
I	HOH2034

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 I 1408

Chain	Residue
I	THR341
I	ALA342
I	GLY343
I	HIS344
L	GLU223
L	ASP224

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 I 1409

Chain	Residue
I	ARG62
L	LEU106
L	THR220
L	ARG227

site_id	CC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM J 1407

Chain	Residue
J	MET92
J	LEU93
J	HIS100
J	ARG104
J	PHE111
J	ALA243
J	GLY244
J	THR247
J	THR248
J	LEU251
J	ALA293
J	THR294
J	ARG296
J	ALA346
J	PHE347
J	GLY348
J	HIS352
J	CYS354
J	ILE355
J	GLY356
J	ALA360
J	HOH2033

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 J 1408

Chain	Residue
J	ARG227
M	ARG62

site_id	CC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM K 1407

Chain	Residue
K	MET92
K	LEU93
K	HIS100
K	ARG104
K	PHE111
K	ALA243
K	THR247
K	THR248
K	LEU251
K	PRO289
K	ALA293
K	THR294
K	ARG296
K	ALA346
K	PHE347
K	GLY348
K	HIS352
K	CYS354
K	ILE355
K	ALA360

site_id	CC6
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM L 1407

Chain	Residue
L	LYS72
L	MET92
L	LEU93
L	HIS100
L	ARG104
L	PHE111
L	ALA243
L	GLY244
L	THR247
L	THR248
L	LEU251
L	ALA293
L	THR294
L	ARG296
L	ALA346
L	PHE347
L	GLY348
L	HIS352
L	CYS354
L	ILE355
L	GLY356
L	ALA360

site_id	CC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM M 1407

Chain	Residue
M	LYS72
M	MET92
M	LEU93
M	HIS100
M	ARG104
M	PHE111
M	GLY244
M	THR247
M	THR248
M	PRO289
M	THR294
M	ARG296
M	ALA346
M	PHE347
M	GLY348
M	ILE351
M	HIS352
M	CYS354
M	ILE355
M	ALA360

site_id	CC8
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM N 1407

Chain	Residue
N	MET92
N	LEU93
N	HIS100
N	ARG104
N	ILE157
N	ALA243
N	GLY244
N	THR247
N	THR248
N	LEU251
N	ALA293
N	THR294
N	ARG296
N	ALA346
N	PHE347
N	GLY348
N	HIS352
N	CYS354
N	ILE355
N	GLY356
N	ALA360

site_id	CC9
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM O 1407

Chain	Residue
O	LYS72
O	MET92
O	LEU93
O	HIS100
O	ARG104
O	PHE111
O	GLY244
O	THR247
O	LEU251
O	PRO289
O	THR294
O	ARG296
O	ALA346
O	PHE347
O	GLY348
O	HIS352
O	CYS354
O	GLY356
O	ALA360

site_id	DC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 O 1408

Chain	Residue
O	ARG114
O	ARG115

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 O 1409

Chain	Residue
G	GLU223
G	ASP224
O	GLY343
O	HIS344
O	ARG361

site_id	DC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM P 1407

Chain	Residue
P	LYS72
P	MET92
P	LEU93
P	HIS100
P	ARG104
P	PHE111
P	GLY244
P	THR247
P	THR248
P	LEU251
P	THR294
P	ARG296
P	ALA346
P	PHE347
P	GLY348
P	ILE351
P	HIS352
P	CYS354
P	GLY356
P	ALA360

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE347-GLY356

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	48
Details	BINDING: BINDING => ECO:0000269\|PubMed:16825192, ECO:0000269\|PubMed:19124459

Chain	Residue	Details
A	GLU94
D	GLU94
D	ALA187
D	HIS238
E	GLU94
E	ALA187
E	HIS238
F	GLU94
F	ALA187
F	HIS238
G	GLU94
A	ALA187
G	ALA187
G	HIS238
H	GLU94
H	ALA187
H	HIS238
I	GLU94
I	ALA187
I	HIS238
J	GLU94
J	ALA187
A	HIS238
J	HIS238
K	GLU94
K	ALA187
K	HIS238
L	GLU94
L	ALA187
L	HIS238
M	GLU94
M	ALA187
M	HIS238
B	GLU94
N	GLU94
N	ALA187
N	HIS238
O	GLU94
O	ALA187
O	HIS238
P	GLU94
P	ALA187
P	HIS238
B	ALA187
B	HIS238
C	GLU94
C	ALA187
C	HIS238

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: axial binding residue => ECO:0000269\|PubMed:16825192, ECO:0000269\|PubMed:19124459, ECO:0000269\|PubMed:19833867, ECO:0000269\|PubMed:24627965, ECO:0000312\|PDB:2C6H, ECO:0000312\|PDB:2C7X, ECO:0000312\|PDB:2CA0, ECO:0000312\|PDB:2CD8, ECO:0000312\|PDB:2VZ7, ECO:0000312\|PDB:2VZM, ECO:0000312\|PDB:2WHW, ECO:0000312\|PDB:2WI9, ECO:0000312\|PDB:3ZK5, ECO:0000312\|PDB:4B7D, ECO:0000312\|PDB:4B7S, ECO:0000312\|PDB:4BF4

Chain	Residue	Details
A	CYS354
J	CYS354
K	CYS354
L	CYS354
M	CYS354
N	CYS354
O	CYS354
P	CYS354
B	CYS354
C	CYS354
D	CYS354
E	CYS354
F	CYS354
G	CYS354
H	CYS354
I	CYS354

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