Annotations: 1MOK

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
B	d1mokb2	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, middle domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
B	d1mokb1	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, N- and C-terminal domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
B	d1mokb3	Alpha and beta proteins (a+b)	CO dehydrogenase flavoprotein C-domain-like	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
A	d1moka2	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, middle domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
A	d1moka1	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, N- and C-terminal domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
A	d1moka3	Alpha and beta proteins (a+b)	CO dehydrogenase flavoprotein C-domain-like	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
C	d1mokc2	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, middle domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
C	d1mokc1	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, N- and C-terminal domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
C	d1mokc3	Alpha and beta proteins (a+b)	CO dehydrogenase flavoprotein C-domain-like	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
D	d1mokd2	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, middle domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
D	d1mokd1	Alpha and beta proteins (a/b)	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	FAD/NAD-linked reductases, N-terminal and central domains	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase, N- and C-terminal domain	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)
D	d1mokd3	Alpha and beta proteins (a+b)	CO dehydrogenase flavoprotein C-domain-like	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	FAD/NAD-linked reductases, dimerisation (C-terminal) domain	NADH-dependent 2-ketopropyl coenzyme M oxidoreductase/carboxylase	(Xanthobacter autotrophicus Py2 ) [TaxId: 78245 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2B Superfamily	GSR C-terminal domain-like	8056206	3000028	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Thioredoxin reductase-like	8056205	3000050	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Thioredoxin reductase-like	8056205	3000050	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	GSR C-terminal domain-like	8056206	3000028	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Thioredoxin reductase-like	8056205	3000050	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	GSR C-terminal domain-like	8056206	3000028	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Thioredoxin reductase-like	8056205	3000050	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	GSR C-terminal domain-like	8056206	3000028	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)
B	Pyr_redox_dim	e1mokB1	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain (From Topology)	T: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain	F: Pyr_redox_dim	ECOD (1.6)
B	Pyr_redox_2_1	e1mokB3	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2_1	ECOD (1.6)
B	Pyr_redox_2	e1mokB2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2	ECOD (1.6)
A	Pyr_redox_dim	e1mokA1	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain (From Topology)	T: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain	F: Pyr_redox_dim	ECOD (1.6)
A	Pyr_redox_2_1	e1mokA3	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2_1	ECOD (1.6)
A	Pyr_redox_2	e1mokA2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2	ECOD (1.6)
C	Pyr_redox_dim	e1mokC1	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain (From Topology)	T: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain	F: Pyr_redox_dim	ECOD (1.6)
C	Pyr_redox_2_1	e1mokC3	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2_1	ECOD (1.6)
C	Pyr_redox_2	e1mokC2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2	ECOD (1.6)
D	Pyr_redox_dim	e1mokD1	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain (From Topology)	T: FAD/NAD-linked reduatases, dimerisation (C-terminal) domain	F: Pyr_redox_dim	ECOD (1.6)
D	Pyr_redox_2_1	e1mokD3	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2_1	ECOD (1.6)
D	Pyr_redox_2	e1mokD2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: FAD/NAD(P)-binding domain	F: Pyr_redox_2	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
B	3.50.50.60	Alpha Beta	3-Layer(bba) Sandwich	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	CATH (4.3.0)
B	3.30.390.30	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
A	3.50.50.60	Alpha Beta	3-Layer(bba) Sandwich	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	CATH (4.3.0)
A	3.30.390.30	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
C	3.50.50.60	Alpha Beta	3-Layer(bba) Sandwich	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	CATH (4.3.0)
C	3.30.390.30	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
D	3.50.50.60	Alpha Beta	3-Layer(bba) Sandwich	FAD/NAD(P)-binding domain	FAD/NAD(P)-binding domain	CATH (4.3.0)
D	3.30.390.30	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00070	Pyridine nucleotide-disulphide oxidoreductase (Pyr_redox)	Pyridine nucleotide-disulphide oxidoreductase	This family includes both class I and class II oxidoreductases and also NADH oxidases and peroxidases. This domain is actually a small NADH binding domain within a larger FAD binding domain.	Domain
A, B, C, D	PF02852	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain (Pyr_redox_dim)	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain	This family includes both class I and class II oxidoreductases and also NADH oxidases and peroxidases.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	orf3	oxidoreductase activity, acting on a sulfur group of donors oxidoreductase activity 2-oxopropyl-CoM reductase (carboxylating) activity catalytic activity oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor	alkene catabolic process cellular response to stimulus catabolic process hydrocarbon catabolic process response to stimulus cellular metabolic process cellular response to xenobiotic stimulus xenobiotic catabolic process propylene metabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular catabolic process cellular response to chemical stimulus propylene catabolic process alkene catabolic process cellular response to stimulus catabolic process hydrocarbon catabolic process response to stimulus cellular metabolic process cellular response to xenobiotic stimulus xenobiotic catabolic process propylene metabolic process hydrocarbon metabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular catabolic process cellular response to chemical stimulus propylene catabolic process cellular alkene metabolic process response to chemical olefinic compound catabolic process olefinic compound metabolic process metabolic process cellular process olefin metabolic process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR004099	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain	Domain
A, B, C, D	IPR023753	FAD/NAD(P)-binding domain	Domain
A, B, C, D	IPR016156	FAD/NAD-linked reductase, dimerisation domain superfamily	Homologous Superfamily
A, B, C, D	IPR036188	FAD/NAD(P)-binding domain superfamily	Homologous Superfamily

Structure Motif Annotation: Mechanism and Catalytic Site Atlas M-CSA Database Homepage

Chains	Enzyme Name	Description	Catalytic Residues
A, B	2-oxopropyl-CoM reductase, carboxylating M-CSA #378	Xanthobacter autotrophicus is able to grow on short chain aliphatic alkenes using a pathway whereby propylene can be converted into acetoacetate. The thioloxidoreductase/carboxylase enzyme described here catalyses the last step in this pathway, using 2-ketopropyl coenzyme M as a substrate and NADPH as the electron donor. The enzyme contains FAD as a cofactor and displays homology to the thiol oxidoreductase family including glutathione.	Defined by 5 residues: LEU:A-78CYS:A-82CYS:A-87HIS:A-137PHE:B-501 \| Explore in 3D: M-CSA Motif Definition Search M-CSA Motif EC: 1.8.1.5 (PDB Primary Data) Search M-CSA Motif + EC 1.8.1.5

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.