4BF4

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

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4bf4a_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
B	d4bf4b_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
C	d4bf4c_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
D	d4bf4d_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
F	d4bf4f_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
G	d4bf4g_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
I	d4bf4i_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
J	d4bf4j_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
M	d4bf4m_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
P	d4bf4p_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
E	d4bf4e_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
H	d4bf4h_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
K	d4bf4k_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
L	d4bf4l_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
N	d4bf4n_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)
O	d4bf4o_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	(Streptomyces venezuelae ) [TaxId: 54571 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
I	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
J	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
M	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
P	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
K	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
L	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
N	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)
O	SCOP2B Superfamily	Cytochrome P450	8078737	3001061	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	p450	e4bf4A1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
B	p450	e4bf4B1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
C	p450	e4bf4C1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
D	p450	e4bf4D1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
F	p450	e4bf4F1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
G	p450	e4bf4G1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
I	p450	e4bf4I1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
J	p450	e4bf4J1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
M	p450	e4bf4M1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
P	p450	e4bf4P1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
E	p450	e4bf4E1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
H	p450	e4bf4H1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
K	p450	e4bf4K1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
L	p450	e4bf4L1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
N	p450	e4bf4N1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
O	p450	e4bf4O1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
B	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
C	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
D	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
F	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
G	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
I	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
J	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
M	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
P	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
E	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
H	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
K	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
L	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
N	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
O	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	PF00067	Cytochrome P450 (p450)	Cytochrome P450	Cytochrome P450s are haem-thiolate proteins [6] involved in the oxidative degradation of various compounds. They are particularly well known for their role in the degradation of environmental toxins and mutagens. They can be divided into 4 classes, a ...	Cytochrome P450s are haem-thiolate proteins [6] involved in the oxidative degradation of various compounds. They are particularly well known for their role in the degradation of environmental toxins and mutagens. They can be divided into 4 classes, according to the method by which electrons from NAD(P)H are delivered to the catalytic site. Sequence conservation is relatively low within the family - there are only 3 absolutely conserved residues - but their general topography and structural fold are highly conserved. The conserved core is composed of a coil termed the 'meander', a four-helix bundle, helices J and K, and two sets of beta-sheets. These constitute the haem-binding loop (with an absolutely conserved cysteine that serves as the 5th ligand for the haem iron), the proton-transfer groove and the absolutely conserved EXXR motif in helix K. While prokaryotic P450s are soluble proteins, most eukaryotic P450s are associated with microsomal membranes. their general enzymatic function is to catalyse regiospecific and stereospecific oxidation of non-activated hydrocarbons at physiological temperatures [6].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	CYTOCHROME P450 HYDROXYLASE PIKC	monooxygenase activity oxidoreductase activity catalytic activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen binding organic cyclic compound binding tetrapyrrole binding heme binding cation binding transition metal ion binding iron ion binding ion binding metal ion binding small molecule binding	macrolide biosynthetic process polyketide metabolic process macrolide metabolic process secondary metabolic process antibiotic biosynthetic process antibiotic metabolic process polyketide biosynthetic process secondary metabolite biosynthetic process biosynthetic process lactone metabolic process lactone biosynthetic process metabolic process cellular process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	IPR017972	Cytochrome P450, conserved site	Conserved Site
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	IPR001128	Cytochrome P450	Family
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	IPR002397	Cytochrome P450, B-class	Family
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	IPR036396	Cytochrome P450 superfamily	Homologous Superfamily

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.