5TDT

Oxygenated toluene intermediate in toluene 4-monooxygenase (T4moHD) after reaction in the crystal

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	d5tdta_	All alpha proteins	Ferritin-like	Ferritin-like	Ribonucleotide reductase-like	automated matches	(Ectopseudomonas mendocina ) [TaxId: 300 ],	SCOPe (2.08)
D	d5tdtd_	All alpha proteins	Ferritin-like	Ferritin-like	Ribonucleotide reductase-like	automated matches	(Ectopseudomonas mendocina ) [TaxId: 300 ],	SCOPe (2.08)
E	d5tdte_	Alpha and beta proteins (a+b)	Monooxygenase (hydroxylase) regulatory protein	Monooxygenase (hydroxylase) regulatory protein	Monooxygenase (hydroxylase) regulatory protein	Toluene-4-monooxygenase catalytic effector protein	(Ectopseudomonas mendocina ) [TaxId: 300 ],	SCOPe (2.08)
H	d5tdth_	Alpha and beta proteins (a+b)	Monooxygenase (hydroxylase) regulatory protein	Monooxygenase (hydroxylase) regulatory protein	Monooxygenase (hydroxylase) regulatory protein	Toluene-4-monooxygenase catalytic effector protein	(Ectopseudomonas mendocina ) [TaxId: 300 ],	SCOPe (2.08)
C	d5tdtc_	Alpha and beta proteins (a+b)	beta-Grasp (ubiquitin-like)	TmoB-like	automated matches	automated matches	(Ectopseudomonas mendocina ) [TaxId: 300 ],	SCOPe (2.08)
G	d5tdtg_	Alpha and beta proteins (a+b)	beta-Grasp (ubiquitin-like)	TmoB-like	automated matches	automated matches	(Ectopseudomonas mendocina ) [TaxId: 300 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Ferritin-like	8067860	3001658	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Ferritin-like	8067860	3001658	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Ferritin-like	8067870	3001658	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	Ferritin-like	8067870	3001658	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Monooxygenase (hydroxylase) regulatory protein	8037949	3000674	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Monooxygenase (hydroxylase) regulatory protein	8037949	3000674	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	TmoB-like	8067866	3001226	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	TmoB-like	8067866	3001226	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	Phenol_Hydrox	e5tdtA1	A: alpha bundles	X: Ferritin/Heme oxygenase/4-helical cytokines	H: Ferritin/Heme oxygenase	T: Heme oxygenase/Ribonucleotide reductase	F: Phenol_Hydrox	ECOD (1.6)
D	Phenol_Hydrox	e5tdtD1	A: alpha bundles	X: Ferritin/Heme oxygenase/4-helical cytokines	H: Ferritin/Heme oxygenase	T: Heme oxygenase/Ribonucleotide reductase	F: Phenol_Hydrox	ECOD (1.6)
B	Phenol_Hydrox	e5tdtB1	A: alpha bundles	X: Ferritin/Heme oxygenase/4-helical cytokines	H: Ferritin/Heme oxygenase	T: Heme oxygenase/Ribonucleotide reductase	F: Phenol_Hydrox	ECOD (1.6)
F	Phenol_Hydrox	e5tdtF1	A: alpha bundles	X: Ferritin/Heme oxygenase/4-helical cytokines	H: Ferritin/Heme oxygenase	T: Heme oxygenase/Ribonucleotide reductase	F: Phenol_Hydrox	ECOD (1.6)
E	MmoB_DmpM	e5tdtE1	A: a+b two layers	X: Alpha-beta plaits	H: Monooxygenase (hydroxylase) regulatory protein (From Topology)	T: Monooxygenase (hydroxylase) regulatory protein	F: MmoB_DmpM	ECOD (1.6)
H	MmoB_DmpM	e5tdtH1	A: a+b two layers	X: Alpha-beta plaits	H: Monooxygenase (hydroxylase) regulatory protein (From Topology)	T: Monooxygenase (hydroxylase) regulatory protein	F: MmoB_DmpM	ECOD (1.6)
C	TmoB	e5tdtC1	A: a+b two layers	X: beta-Grasp	H: Ubiquitin-related	T: Ubiquitin-like	F: TmoB	ECOD (1.6)
G	TmoB	e5tdtG1	A: a+b two layers	X: beta-Grasp	H: Ubiquitin-related	T: Ubiquitin-like	F: TmoB	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.10.620.20	Mainly Alpha	Orthogonal Bundle	Ribonucleotide Reductase, subunit A	Ribonucleotide Reductase, subunit A	CATH (4.3.0)
D	1.10.620.20	Mainly Alpha	Orthogonal Bundle	Ribonucleotide Reductase, subunit A	Ribonucleotide Reductase, subunit A	CATH (4.3.0)
B	1.10.620.20	Mainly Alpha	Orthogonal Bundle	Ribonucleotide Reductase, subunit A	Ribonucleotide Reductase, subunit A	CATH (4.3.0)
F	1.10.620.20	Mainly Alpha	Orthogonal Bundle	Ribonucleotide Reductase, subunit A	Ribonucleotide Reductase, subunit A	CATH (4.3.0)
E	3.90.56.10	Alpha Beta	Alpha-Beta Complex	Phenol Hydroxylase P2 Protein	Monooxygenase component MmoB/DmpM	CATH (4.3.0)
H	3.90.56.10	Alpha Beta	Alpha-Beta Complex	Phenol Hydroxylase P2 Protein	Monooxygenase component MmoB/DmpM	CATH (4.3.0)
C	3.10.20.270	Alpha Beta	Roll	Ubiquitin-like (UB roll)	TmoB-like	CATH (4.3.0)
G	3.10.20.270	Alpha Beta	Roll	Ubiquitin-like (UB roll)	TmoB-like	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, D	PF02332	Methane/Phenol/Alkene Hydroxylase (Phenol_Hydrox)	Methane/Phenol/Alkene Hydroxylase	This protein family includes several components of multicomponent enzyme systems predominantly found in Proteobacteria and Actinobacteria, including subunits alpha and beta of a methane monooxygenase and an alkene monooxygenase system, small and larg ...	This protein family includes several components of multicomponent enzyme systems predominantly found in Proteobacteria and Actinobacteria, including subunits alpha and beta of a methane monooxygenase and an alkene monooxygenase system, small and large subunits of propane 2-monooxygenase system and P1 protein of phenol hydroxylase [1-4].	Domain
B, F	PF02332	Methane/Phenol/Alkene Hydroxylase (Phenol_Hydrox)	Methane/Phenol/Alkene Hydroxylase	This protein family includes several components of multicomponent enzyme systems predominantly found in Proteobacteria and Actinobacteria, including subunits alpha and beta of a methane monooxygenase and an alkene monooxygenase system, small and larg ...	This protein family includes several components of multicomponent enzyme systems predominantly found in Proteobacteria and Actinobacteria, including subunits alpha and beta of a methane monooxygenase and an alkene monooxygenase system, small and large subunits of propane 2-monooxygenase system and P1 protein of phenol hydroxylase [1-4].	Domain
E, H	PF02406	MmoB/DmpM family (MmoB_DmpM)	MmoB/DmpM family	This family consists of monooxygenase components such as MmoB methane monooxygenase (EC:1.14.13.25) regulatory protein B. When MmoB is present at low concentration it converts methane monooxygenase from an oxidase to a hydroxylase and stabilises inte ...	This family consists of monooxygenase components such as MmoB methane monooxygenase (EC:1.14.13.25) regulatory protein B. When MmoB is present at low concentration it converts methane monooxygenase from an oxidase to a hydroxylase and stabilises intermediates required for the activation of dioxygen [1]. Also found in this family is DmpM or Phenol hydroxylase (EC:1.14.13.7) protein component P2, this protein lacks redox co-factors and is required for optimal turnover of Phenol hydroxylase [3].	Domain
C, G	PF06234	Toluene-4-monooxygenase system protein B (TmoB) (TmoB)	Toluene-4-monooxygenase system protein B (TmoB)	This family consists of several Toluene-4-monooxygenase system protein B (TmoB) sequences. Pseudomonas mendocina KR1 metabolises toluene as a carbon source. The initial step of the pathway is hydroxylation of toluene to form p-cresol by a multicompon ...	This family consists of several Toluene-4-monooxygenase system protein B (TmoB) sequences. Pseudomonas mendocina KR1 metabolises toluene as a carbon source. The initial step of the pathway is hydroxylation of toluene to form p-cresol by a multicomponent toluene-4-monooxygenase (T4MO) system [1]. TmoB adopts a ubiquitin fold [2]. Although TmoB is a component of the T4MO system, its precise role remains unclear.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, D	Toluene-4-monooxygenase system protein A	oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen catalytic activity toluene 4-monooxygenase activity cation binding ion binding binding metal ion binding small molecule binding	cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process metabolic process cellular process toluene metabolic process toluene-containing compound catabolic process	-
B, F	Toluene-4-monooxygenase system protein E	oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen catalytic activity toluene 4-monooxygenase activity	cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process metabolic process cellular process toluene metabolic process toluene-containing compound catabolic process	-
E, H	Toluene-4-monooxygenase system protein D	monooxygenase activity oxidoreductase activity catalytic activity	cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process metabolic process cellular process toluene metabolic process toluene-containing compound catabolic process	-
C, G	Toluene-4-monooxygenase system protein B	oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen catalytic activity toluene 4-monooxygenase activity	cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process cellular response to stimulus catabolic process benzene-containing compound metabolic process response to stimulus hydrocarbon catabolic process cellular response to xenobiotic stimulus toluene-containing compound metabolic process xenobiotic catabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical toluene catabolic process metabolic process cellular process toluene metabolic process toluene-containing compound catabolic process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, D	IPR009078	Ferritin-like superfamily	Homologous Superfamily
A, D	IPR003430	Propane/methane/phenol/toluene hydroxylase	Family
A, D	IPR012348	Ribonucleotide reductase-like	Homologous Superfamily
B, F	IPR009078	Ferritin-like superfamily	Homologous Superfamily
B, F	IPR003430	Propane/methane/phenol/toluene hydroxylase	Family
B, F	IPR012078	Methane/phenol monooxygenase, hydroxylase component	Family
B, F	IPR012348	Ribonucleotide reductase-like	Homologous Superfamily
E, H	IPR036889	Monooxygenase component MmoB/DmpM superfamily	Homologous Superfamily
E, H	IPR003454	Monooxygenase component MmoB/DmpM	Family
C, G	IPR036713	TmoB-like superfamily	Homologous Superfamily
C, G	IPR009355	Toluene-4-monooxygenase system B	Family

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.