3H3X

Structure of the V74M large subunit mutant of NI-FE hydrogenase in an oxidized state

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	d3h3xa_	Multi-domain proteins (alpha and beta)	HydA/Nqo6-like	HydA/Nqo6-like	Nickel-iron hydrogenase, small subunit	automated matches	(Solidesulfovibrio fructosivorans ) [TaxId: 878 ],	SCOPe (2.08)
C [auth B]	d3h3xb_	Multi-domain proteins (alpha and beta)	HydA/Nqo6-like	HydA/Nqo6-like	Nickel-iron hydrogenase, small subunit	automated matches	(Solidesulfovibrio fructosivorans ) [TaxId: 878 ],	SCOPe (2.08)
E [auth C]	d3h3xc_	Multi-domain proteins (alpha and beta)	HydA/Nqo6-like	HydA/Nqo6-like	Nickel-iron hydrogenase, small subunit	automated matches	(Solidesulfovibrio fructosivorans ) [TaxId: 878 ],	SCOPe (2.08)
B [auth Q]	d3h3xq_	Multi-domain proteins (alpha and beta)	HydB/Nqo4-like	HydB/Nqo4-like	Nickel-iron hydrogenase, large subunit	automated matches	(Solidesulfovibrio fructosivorans ) [TaxId: 878 ],	SCOPe (2.08)
D [auth R]	d3h3xr_	Multi-domain proteins (alpha and beta)	HydB/Nqo4-like	HydB/Nqo4-like	Nickel-iron hydrogenase, large subunit	automated matches	(Solidesulfovibrio fructosivorans ) [TaxId: 878 ],	SCOPe (2.08)
F [auth S]	d3h3xs_	Multi-domain proteins (alpha and beta)	HydB/Nqo4-like	HydB/Nqo4-like	Nickel-iron hydrogenase, large subunit	automated matches	(Solidesulfovibrio fructosivorans ) [TaxId: 878 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Nqo6/HydA N-terminal domain-like	8054419	3002291	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	HydA C-terminal domain-like	8037588	3001861	SCOP2B (2022-06-29)
C [auth B]	SCOP2B Superfamily	HydA C-terminal domain-like	8037588	3001861	SCOP2B (2022-06-29)
C [auth B]	SCOP2B Superfamily	Nqo6/HydA N-terminal domain-like	8054419	3002291	SCOP2B (2022-06-29)
E [auth C]	SCOP2B Superfamily	Nqo6/HydA N-terminal domain-like	8054419	3002291	SCOP2B (2022-06-29)
E [auth C]	SCOP2B Superfamily	HydA C-terminal domain-like	8037588	3001861	SCOP2B (2022-06-29)
B [auth Q]	SCOP2B Superfamily	HydB/Nqo4-like	8037575	3001849	SCOP2B (2022-06-29)
D [auth R]	SCOP2B Superfamily	HydB/Nqo4-like	8037575	3001849	SCOP2B (2022-06-29)
F [auth S]	SCOP2B Superfamily	HydB/Nqo4-like	8037575	3001849	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	PF01058	e3h3xA2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: CheY-like	F: PF01058	ECOD (1.6)
A	PF14720	e3h3xA1	A: few secondary structure elements	X: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit (From Topology)	H: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit (From Topology)	T: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit	F: PF14720	ECOD (1.6)
C [auth B]	PF01058	e3h3xB2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: CheY-like	F: PF01058	ECOD (1.6)
C [auth B]	PF14720	e3h3xB1	A: few secondary structure elements	X: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit (From Topology)	H: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit (From Topology)	T: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit	F: PF14720	ECOD (1.6)
E [auth C]	PF01058	e3h3xC2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: CheY-like	F: PF01058	ECOD (1.6)
E [auth C]	PF14720	e3h3xC1	A: few secondary structure elements	X: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit (From Topology)	H: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit (From Topology)	T: Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit	F: PF14720	ECOD (1.6)
B [auth Q]	PF00374	e3h3xQ1	A: beta meanders	X: all-beta domain in nickel-iron hydrogenase large subunit (From Topology)	H: all-beta domain in nickel-iron hydrogenase large subunit (From Topology)	T: all-beta domain in nickel-iron hydrogenase large subunit	F: PF00374	ECOD (1.6)
B [auth Q]	PF00374	e3h3xQ2	A: alpha complex topology	X: alpha-helical domain in nickel-iron hydrogenase, large subunit (From Topology)	H: alpha-helical domain in nickel-iron hydrogenase, large subunit (From Topology)	T: alpha-helical domain in nickel-iron hydrogenase, large subunit	F: PF00374	ECOD (1.6)
B [auth Q]	PF00374	e3h3xQ3	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: Ni-Fe binding domain in nickel-iron hydrogenase large subunit (From Topology)	T: Ni-Fe binding domain in nickel-iron hydrogenase large subunit	F: PF00374	ECOD (1.6)
D [auth R]	PF00374	e3h3xR1	A: beta meanders	X: all-beta domain in nickel-iron hydrogenase large subunit (From Topology)	H: all-beta domain in nickel-iron hydrogenase large subunit (From Topology)	T: all-beta domain in nickel-iron hydrogenase large subunit	F: PF00374	ECOD (1.6)
D [auth R]	PF00374	e3h3xR2	A: alpha complex topology	X: alpha-helical domain in nickel-iron hydrogenase, large subunit (From Topology)	H: alpha-helical domain in nickel-iron hydrogenase, large subunit (From Topology)	T: alpha-helical domain in nickel-iron hydrogenase, large subunit	F: PF00374	ECOD (1.6)
D [auth R]	PF00374	e3h3xR3	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: Ni-Fe binding domain in nickel-iron hydrogenase large subunit (From Topology)	T: Ni-Fe binding domain in nickel-iron hydrogenase large subunit	F: PF00374	ECOD (1.6)
F [auth S]	PF00374	e3h3xS1	A: beta meanders	X: all-beta domain in nickel-iron hydrogenase large subunit (From Topology)	H: all-beta domain in nickel-iron hydrogenase large subunit (From Topology)	T: all-beta domain in nickel-iron hydrogenase large subunit	F: PF00374	ECOD (1.6)
F [auth S]	PF00374	e3h3xS2	A: alpha complex topology	X: alpha-helical domain in nickel-iron hydrogenase, large subunit (From Topology)	H: alpha-helical domain in nickel-iron hydrogenase, large subunit (From Topology)	T: alpha-helical domain in nickel-iron hydrogenase, large subunit	F: PF00374	ECOD (1.6)
F [auth S]	PF00374	e3h3xS3	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: Ni-Fe binding domain in nickel-iron hydrogenase large subunit (From Topology)	T: Ni-Fe binding domain in nickel-iron hydrogenase large subunit	F: PF00374	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.700	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NADH:ubiquinone oxidoreductase-like, 20kDa subunit	CATH (4.3.0)
A	4.10.480.10	Few Secondary Structures	Irregular	Cytochrome-c3 Hydrogenase	Chain A, domain 2	CATH (4.3.0)
C [auth B]	3.40.50.700	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NADH:ubiquinone oxidoreductase-like, 20kDa subunit	CATH (4.3.0)
C [auth B]	4.10.480.10	Few Secondary Structures	Irregular	Cytochrome-c3 Hydrogenase	Chain A, domain 2	CATH (4.3.0)
E [auth C]	3.40.50.700	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NADH:ubiquinone oxidoreductase-like, 20kDa subunit	CATH (4.3.0)
E [auth C]	4.10.480.10	Few Secondary Structures	Irregular	Cytochrome-c3 Hydrogenase	Chain A, domain 2	CATH (4.3.0)
B [auth Q]	1.10.645.10	Mainly Alpha	Orthogonal Bundle	Cytochrome-c3 Hydrogenase	chain B	CATH (4.3.0)
D [auth R]	1.10.645.10	Mainly Alpha	Orthogonal Bundle	Cytochrome-c3 Hydrogenase	chain B	CATH (4.3.0)
F [auth S]	1.10.645.10	Mainly Alpha	Orthogonal Bundle	Cytochrome-c3 Hydrogenase	chain B	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, C [auth B], E [auth C]	PF14720	NiFe/NiFeSe hydrogenase small subunit C-terminal (NiFe_hyd_SSU_C)	NiFe/NiFeSe hydrogenase small subunit C-terminal	-	Family
A, C [auth B], E [auth C]	PF01058	NADH ubiquinone oxidoreductase, 20 Kd subunit (Oxidored_q6)	NADH ubiquinone oxidoreductase, 20 Kd subunit	-	Family
B [auth Q], D [auth R], F [auth S]	PF00374	Nickel-dependent hydrogenase (NiFeSe_Hases)	Nickel-dependent hydrogenase	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, C [auth B], E [auth C]	Periplasmic [NiFe] hydrogenase small subunit	oxidoreductase activity oxidoreductase activity, acting on hydrogen as donor, iron-sulfur protein as acceptor oxidoreductase activity, acting on hydrogen as donor ferredoxin hydrogenase activity catalytic activity iron-sulfur cluster binding binding 3 iron, 4 sulfur cluster binding metal cluster binding small molecule binding oxidoreductase activity, acting on hydrogen as donor, cytochrome as acceptor cytochrome-c3 hydrogenase activity 4 iron, 4 sulfur cluster binding cation binding oxidoreductase activity oxidoreductase activity, acting on hydrogen as donor, iron-sulfur protein as acceptor oxidoreductase activity, acting on hydrogen as donor ferredoxin hydrogenase activity catalytic activity iron-sulfur cluster binding binding 3 iron, 4 sulfur cluster binding metal cluster binding small molecule binding oxidoreductase activity, acting on hydrogen as donor, cytochrome as acceptor cytochrome-c3 hydrogenase activity 4 iron, 4 sulfur cluster binding cation binding ion binding metal ion binding	-	protein-containing complex catalytic complex oxidoreductase complex ferredoxin hydrogenase complex intracellular protein-containing complex periplasmic space cellular anatomical entity
B [auth Q], D [auth R], F [auth S]	Periplasmic [NiFe] hydrogenase large subunit	oxidoreductase activity oxidoreductase activity, acting on hydrogen as donor oxidoreductase activity, acting on hydrogen as donor, cytochrome as acceptor cytochrome-c3 hydrogenase activity catalytic activity cation binding transition metal ion binding ion binding binding nickel cation binding metal ion binding small molecule binding oxidoreductase activity, acting on hydrogen as donor, iron-sulfur protein as acceptor ferredoxin hydrogenase activity	-	periplasmic space cellular anatomical entity

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, C [auth B], E [auth C]	IPR006311	Twin-arginine translocation pathway, signal sequence	Conserved Site
A, C [auth B], E [auth C]	IPR001821	[NiFe]-hydrogenase, small subunit	Family
A, C [auth B], E [auth C]	IPR027394	Cytochrome-c3 hydrogenase, C-terminal	Domain
A, C [auth B], E [auth C]	IPR006137	NADH:ubiquinone oxidoreductase-like, 20kDa subunit	Domain
A, C [auth B], E [auth C]	IPR037024	[NiFe]-hydrogenase, small subunit, N-terminal domain superfamily	Homologous Superfamily
A, C [auth B], E [auth C]	IPR019546	Twin-arginine translocation pathway, signal sequence, bacterial/archaeal	Conserved Site
A, C [auth B], E [auth C]	IPR037148	[NiFe]-hydrogenase, small subunit, C-terminal domain superfamily	Homologous Superfamily
B [auth Q], D [auth R], F [auth S]	IPR001501	Nickel-dependent hydrogenase, large subunit	Family
B [auth Q], D [auth R], F [auth S]	IPR029014	[NiFe]-hydrogenase, large subunit	Homologous Superfamily
B [auth Q], D [auth R], F [auth S]	IPR018194	Nickel-dependent hydrogenase, large subunit, nickel binding site	Binding Site

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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 R01GM133198.