3PUX

Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-BeF3

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
Membrane Protein Annotation: PDBTM
Membrane Protein Annotation: MemProtMD
Membrane Protein Annotation: mpstruc

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A [auth E]	d3puxe1	Alpha and beta proteins (a/b)	Periplasmic binding protein-like II	Periplasmic binding protein-like II	Phosphate binding protein-like	automated matches	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
A [auth E]	d3puxe2	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
B [auth F]	d3puxf1	Multi-domain proteins (alpha and beta)	MalF N-terminal region-like	MalF N-terminal region-like	MalF N-terminal region-like	Maltose transport system permease protein MalF	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
B [auth F]	d3puxf2	Membrane and cell surface proteins and peptides	MetI-like	MetI-like	MetI-like	Maltose transport system permease protein MalF	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
C [auth G]	d3puxg_	Membrane and cell surface proteins and peptides	MetI-like	MetI-like	MetI-like	automated matches	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
D [auth A]	d3puxa2	All beta proteins	OB-fold	MOP-like	ABC-transporter additional domain	Maltose transport protein MalK, C-terminal domain	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
D [auth A]	d3puxa1	Alpha and beta proteins (a/b)	P-loop containing nucleoside triphosphate hydrolases	P-loop containing nucleoside triphosphate hydrolases	ABC transporter ATPase domain-like	Maltose transport protein MalK, N-terminal domain	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
D [auth A]	d3puxa3	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
E [auth B]	d3puxb2	All beta proteins	OB-fold	MOP-like	ABC-transporter additional domain	Maltose transport protein MalK, C-terminal domain	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)
E [auth B]	d3puxb1	Alpha and beta proteins (a/b)	P-loop containing nucleoside triphosphate hydrolases	P-loop containing nucleoside triphosphate hydrolases	ABC transporter ATPase domain-like	Maltose transport protein MalK, N-terminal domain	(Escherichia coli K-12 ) [TaxId: 83333 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A [auth E]	SCOP2B Superfamily	Type 2 solute binding protein-like	8058187	3000083	SCOP2B (2022-06-29)
B [auth F]	SCOP2B Superfamily	MalF N-terminal region-like	8053508	3002199	SCOP2B (2022-06-29)
B [auth F]	SCOP2B Superfamily	MalF P2 linker domain-like	8091379	3002501	SCOP2B (2022-06-29)
B [auth F]	SCOP2B Superfamily	MalF P2 linker domain-like	8091379	3002501	SCOP2B (2022-06-29)
B [auth F]	SCOP2B Superfamily	MalF P2 beta-barrel domain-like	8018435	3001643	SCOP2B (2022-06-29)
B [auth F]	SCOP2B Superfamily	MetI-like	8018431	3001716	SCOP2B (2022-06-29)
C [auth G]	SCOP2B Superfamily	MetI-like	8058270	3001716	SCOP2B (2022-06-29)
D [auth A]	SCOP2B Superfamily	MOP-like	8057782	3000099	SCOP2B (2022-06-29)
D [auth A]	SCOP2B Superfamily	ABC transporter-like P-loop ATPases	8057781	3002020	SCOP2B (2022-06-29)
E [auth B]	SCOP2B Superfamily	ABC transporter-like P-loop ATPases	8057781	3002020	SCOP2B (2022-06-29)
E [auth B]	SCOP2B Superfamily	MOP-like	8057782	3000099	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 [auth E]	SBP_bac_1_C	e3puxE1	A: a/b three-layered sandwiches	X: Periplasmic binding protein-like II (From Topology)	H: Periplasmic binding protein-like II (From Topology)	T: Periplasmic binding protein-like II	F: SBP_bac_1_C	ECOD (1.6)
A [auth E]	SBP_bac_1_N_1	e3puxE2	A: a/b three-layered sandwiches	X: Periplasmic binding protein-like II (From Topology)	H: Periplasmic binding protein-like II (From Topology)	T: Periplasmic binding protein-like II	F: SBP_bac_1_N_1	ECOD (1.6)
B [auth F]	BPD_transp_1	e3puxF6	A: alpha bundles	X: Type II ABC exporter transmembrane domain fold	H: Type I ABC importer transmembrane domain fold (From Topology)	T: Type I ABC importer transmembrane domain fold	F: BPD_transp_1	ECOD (1.6)
B [auth F]	MalF_P2_N	e3puxF7	A: a+b complex topology	X: barrel domain in MalF N-terminal region (From Topology)	H: barrel domain in MalF N-terminal region (From Topology)	T: barrel domain in MalF N-terminal region	F: MalF_P2_N	ECOD (1.6)
B [auth F]	MalF_P2_C	e3puxF8	A: a+b complex topology	X: linker domain in MalF N-terminal region (From Topology)	H: linker domain in MalF N-terminal region (From Topology)	T: linker domain in MalF N-terminal region	F: MalF_P2_C	ECOD (1.6)
B [auth F]	malF	e3puxF5	A: extended segments	X: Transmembrane helices in MalF N-terminal region (From Topology)	H: Transmembrane helices in MalF N-terminal region (From Topology)	T: Transmembrane helices in MalF N-terminal region	F: malF	ECOD (1.6)
C [auth G]	BPD_transp_1	e3puxG1	A: alpha bundles	X: Type II ABC exporter transmembrane domain fold	H: Type I ABC importer transmembrane domain fold (From Topology)	T: Type I ABC importer transmembrane domain fold	F: BPD_transp_1	ECOD (1.6)
D [auth A]	TOBE_2_1st	e3puxA4	A: beta barrels	X: OB-fold	H: MOP-like (From Topology)	T: MOP-like	F: TOBE_2_1st	ECOD (1.6)
D [auth A]	PRK11000,ABC_tran	e3puxA1	A: a/b three-layered sandwiches	X: P-loop domains-like	H: P-loop domains-related	T: P-loop containing nucleoside triphosphate hydrolases	F: PRK11000,ABC_tran	ECOD (1.6)
E [auth B]	TOBE_2_1st	e3puxB4	A: beta barrels	X: OB-fold	H: MOP-like (From Topology)	T: MOP-like	F: TOBE_2_1st	ECOD (1.6)
E [auth B]	PRK11000,ABC_tran	e3puxB1	A: a/b three-layered sandwiches	X: P-loop domains-like	H: P-loop domains-related	T: P-loop containing nucleoside triphosphate hydrolases	F: PRK11000,ABC_tran	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A [auth E]	3.40.190.10	Alpha Beta	3-Layer(aba) Sandwich	D-Maltodextrin-Binding Protein	domain 2	CATH (4.3.0)
B [auth F]	1.20.58.370	Mainly Alpha	Up-down Bundle	Methane Monooxygenase Hydroxylase	Chain G, domain 1	CATH (4.3.0)
B [auth F]	3.10.650.10	Alpha Beta	Roll	MalF N-terminal region-like	MalF N-terminal region-like	CATH (4.3.0)
B [auth F]	2.40.430.10	Mainly Beta	Beta Barrel	Periplasmic binding protein-like II	D-maltodextrin-binding protein, MBP	CATH (4.3.0)
B [auth F]	1.10.3720.10	Mainly Alpha	Orthogonal Bundle	MetI-like fold	MetI-like	CATH (4.3.0)
C [auth G]	1.10.3720.10	Mainly Alpha	Orthogonal Bundle	MetI-like fold	MetI-like	CATH (4.3.0)
D [auth A]	3.40.50.300	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	P-loop containing nucleotide triphosphate hydrolases	CATH (4.3.0)
D [auth A]	2.40.50.100	Mainly Beta	Beta Barrel	OB fold (Dihydrolipoamide Acetyltransferase, E2P)	RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain	CATH (4.3.0)
D [auth A]	2.40.50.140	Mainly Beta	Beta Barrel	OB fold (Dihydrolipoamide Acetyltransferase, E2P)	Nucleic acid-binding proteins	CATH (4.3.0)
E [auth B]	3.40.50.300	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	P-loop containing nucleotide triphosphate hydrolases	CATH (4.3.0)
E [auth B]	2.40.50.100	Mainly Beta	Beta Barrel	OB fold (Dihydrolipoamide Acetyltransferase, E2P)	RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain	CATH (4.3.0)
E [auth B]	2.40.50.140	Mainly Beta	Beta Barrel	OB fold (Dihydrolipoamide Acetyltransferase, E2P)	Nucleic acid-binding proteins	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A [auth E]	PF01547	Bacterial extracellular solute-binding protein (SBP_bac_1)	Bacterial extracellular solute-binding protein	-	Family
B [auth F]	PF20872	MalF, N-terminal region, transmembrane helices (MalF_N_TM)	MalF, N-terminal region, transmembrane helices	MalF is a component of the maltose uptake system found in Proteobacteria, an ATP-binding cassette (ABC) transporter. This protein is composed of eight transmembrane (TM) helices and folds in a way its concave surface faces the similar assembly of Mal ...	MalF is a component of the maltose uptake system found in Proteobacteria, an ATP-binding cassette (ABC) transporter. This protein is composed of eight transmembrane (TM) helices and folds in a way its concave surface faces the similar assembly of MalG to enclose the maltose. This entry represents the first TM helices of this structure, which are located N-terminal to the large periplasmic loop (P2, Pfam:PF14785) [1].	Domain
B [auth F]	PF00528	Binding-protein-dependent transport system inner membrane component (BPD_transp_1)	Binding-protein-dependent transport system inner membrane component	-	Family
B [auth F]	PF14785	Maltose transport system permease protein MalF P2 domain (MalF_P2)	Maltose transport system permease protein MalF P2 domain	-	Family
C [auth G]	PF00528	Binding-protein-dependent transport system inner membrane component (BPD_transp_1)	Binding-protein-dependent transport system inner membrane component	-	Family
D [auth A], E [auth B]	PF08402	TOBE domain (TOBE_2)	TOBE domain	-	Family
D [auth A], E [auth B]	PF00005	ABC transporter (ABC_tran)	ABC transporter	ABC transporters for a large family of proteins responsible for translocation of a variety of compounds across biological membranes. ABC transporters are the largest family of proteins in many completely sequenced bacteria. ABC transporters are comp ...	ABC transporters for a large family of proteins responsible for translocation of a variety of compounds across biological membranes. ABC transporters are the largest family of proteins in many completely sequenced bacteria. ABC transporters are composed of two copies of this domain and two copies of a transmembrane domain Pfam:PF00664. These four domains may belong to a single polypeptide as in Swiss:P13569, or belong in different polypeptide chains.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth E]	Maltose-binding periplasmic protein	transporter activity carbohydrate transmembrane transporter activity transmembrane transporter activity oligosaccharide binding binding disaccharide binding carbohydrate binding maltose binding	cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process cell chemotaxis chemotaxis response to external stimulus cellular response to chemical stimulus taxis response to chemical cell migration cell motility cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process cell chemotaxis chemotaxis response to external stimulus cellular response to chemical stimulus taxis response to chemical cell migration cell motility locomotion localization transport carbohydrate transport oligosaccharide transport disaccharide transport establishment of localization maltose transport polysaccharide localization dextrin transport macromolecule localization maltodextrin transmembrane transport polysaccharide transport response to disaccharide response to oxygen-containing compound detection of maltose stimulus detection of stimulus response to carbohydrate detection of chemical stimulus detection of disaccharide stimulus response to maltose detection of carbohydrate stimulus	ATPase dependent transmembrane transport complex protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex cellular anatomical entity transporter complex ATP-binding cassette (ABC) transporter complex cell periphery transmembrane transporter complex ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing maltose transport complex periplasmic space ATPase dependent transmembrane transport complex protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex cellular anatomical entity transporter complex ATP-binding cassette (ABC) transporter complex cell periphery transmembrane transporter complex ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing maltose transport complex periplasmic space outer membrane-bounded periplasmic space cell envelope
B [auth F]	Maltose transport system permease protein malF	primary active transmembrane transporter activity ATPase-coupled transmembrane transporter activity oligosaccharide transmembrane transporter activity disaccharide transmembrane transporter activity maltose transmembrane transporter activity ABC-type oligosaccharide transporter activity ATP-dependent activity ABC-type transporter activity active transmembrane transporter activity transporter activity carbohydrate transmembrane transporter activity transmembrane transporter activity ABC-type carbohydrate transporter activity ABC-type maltose transporter activity	cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process regulation of localization regulation of biological process regulation of transport transport regulation of maltose transport biological regulation negative regulation of biological process carbohydrate transport cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process regulation of localization regulation of biological process regulation of transport transport regulation of maltose transport biological regulation negative regulation of biological process carbohydrate transport negative regulation of transport oligosaccharide transport establishment of localization negative regulation of maltose transport localization disaccharide transport maltose transport polysaccharide localization dextrin transport macromolecule localization maltodextrin transmembrane transport polysaccharide transport regulation of cellular process negative regulation of transmembrane transport transmembrane transport regulation of transmembrane transport negative regulation of cellular process	ATPase dependent transmembrane transport complex protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex cellular anatomical entity transporter complex ATP-binding cassette (ABC) transporter complex cell periphery transmembrane transporter complex maltose transport complex enzyme IIA-maltose transporter complex
C [auth G]	Maltose transport system permease protein malG	primary active transmembrane transporter activity ATPase-coupled transmembrane transporter activity oligosaccharide transmembrane transporter activity disaccharide transmembrane transporter activity maltose transmembrane transporter activity ABC-type oligosaccharide transporter activity ATP-dependent activity ABC-type transporter activity active transmembrane transporter activity transporter activity carbohydrate transmembrane transporter activity transmembrane transporter activity ABC-type carbohydrate transporter activity ABC-type maltose transporter activity	regulation of localization regulation of biological process regulation of transport transport regulation of maltose transport biological regulation negative regulation of biological process carbohydrate transport negative regulation of transport oligosaccharide transport establishment of localization negative regulation of maltose transport localization disaccharide transport regulation of localization regulation of biological process regulation of transport transport regulation of maltose transport biological regulation negative regulation of biological process carbohydrate transport negative regulation of transport oligosaccharide transport establishment of localization negative regulation of maltose transport localization disaccharide transport maltose transport polysaccharide localization dextrin transport macromolecule localization maltodextrin transmembrane transport polysaccharide transport regulation of cellular process negative regulation of transmembrane transport transmembrane transport regulation of transmembrane transport negative regulation of cellular process cellular process	ATPase dependent transmembrane transport complex protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex cellular anatomical entity transporter complex ATP-binding cassette (ABC) transporter complex cell periphery transmembrane transporter complex maltose transport complex enzyme IIA-maltose transporter complex
D [auth A], E [auth B]	Maltose/maltodextrin import ATP-binding protein MalK	binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding small molecule binding transcription factor binding protein binding DNA-binding transcription factor binding pyrophosphatase activity ATP hydrolysis activity ribonucleoside triphosphate phosphatase activity hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides hydrolase activity hydrolase activity, acting on acid anhydrides catalytic activity ATP-dependent activity primary active transmembrane transporter activity ATPase-coupled transmembrane transporter activity oligosaccharide transmembrane transporter activity disaccharide transmembrane transporter activity maltose transmembrane transporter activity ABC-type oligosaccharide transporter activity ABC-type transporter activity active transmembrane transporter activity transporter activity carbohydrate transmembrane transporter activity transmembrane transporter activity ABC-type carbohydrate transporter activity ABC-type maltose transporter activity	regulation of localization regulation of biological process regulation of transport transport regulation of maltose transport biological regulation negative regulation of biological process carbohydrate transport negative regulation of transport oligosaccharide transport establishment of localization negative regulation of maltose transport localization disaccharide transport regulation of localization regulation of biological process regulation of transport transport regulation of maltose transport biological regulation negative regulation of biological process carbohydrate transport negative regulation of transport oligosaccharide transport establishment of localization negative regulation of maltose transport localization disaccharide transport maltose transport polysaccharide localization dextrin transport macromolecule localization maltodextrin transmembrane transport polysaccharide transport regulation of cellular process negative regulation of transmembrane transport transmembrane transport regulation of transmembrane transport negative regulation of cellular process cellular process	ATPase dependent transmembrane transport complex protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex cellular anatomical entity transporter complex ATP-binding cassette (ABC) transporter complex cell periphery transmembrane transporter complex ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing maltose transport complex enzyme IIA-maltose transporter complex

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A [auth E]	IPR006061	Solute-binding family 1, conserved site	Conserved Site
A [auth E]	IPR006060	Maltose/Cyclodextrin ABC transporter, substrate-binding protein	Family
A [auth E]	IPR006059	Bacterial-type extracellular solute-binding protein	Family
B [auth F]	IPR029345	Maltose transport system permease protein MalF, P2 domain	Domain
B [auth F]	IPR035277	MalF, N-terminal	Homologous Superfamily
B [auth F]	IPR000515	ABC transporter type 1, transmembrane domain MetI-like	Domain
B [auth F]	IPR048464	MalF, N-terminal region, transmembrane helices	Domain
B [auth F]	IPR035906	MetI-like superfamily	Homologous Superfamily
B [auth F]	IPR047103	Maltose transport system permease protein MalF, P2 domain superfamily	Homologous Superfamily
C [auth G]	IPR000515	ABC transporter type 1, transmembrane domain MetI-like	Domain
C [auth G]	IPR050901	Binding-protein-dependent ABC transporter permease	Family
C [auth G]	IPR035906	MetI-like superfamily	Homologous Superfamily
D [auth A], E [auth B]	IPR013611	Transport-associated OB, type 2	Domain
D [auth A], E [auth B]	IPR017871	ABC transporter-like, conserved site	Conserved Site
D [auth A], E [auth B]	IPR047641	ABC transporter, ATP-binding protein MalK/UgpC-like	Family
D [auth A], E [auth B]	IPR003439	ABC transporter-like, ATP-binding domain	Domain
D [auth A], E [auth B]	IPR003593	AAA+ ATPase domain	Domain
D [auth A], E [auth B]	IPR012340	Nucleic acid-binding, OB-fold	Homologous Superfamily
D [auth A], E [auth B]	IPR008995	Molybdate/tungstate binding, C-terminal	Homologous Superfamily
D [auth A], E [auth B]	IPR015855	ABC transporter, maltose/maltodextrin import, MalK-like	Domain
D [auth A], E [auth B]	IPR027417	P-loop containing nucleoside triphosphate hydrolase	Homologous Superfamily

Membrane Protein Annotation: PDBTM PDBTM Database Homepage

Chains	External Link	Comment
A [auth E], B [auth F], C [auth G], D [auth A], E [auth B]	PDBTM	Annotated as membrane protein by PDBTM

Membrane Protein Annotation: MemProtMD MemProtMD Database Homepage

Chains	External Link	Comment
A [auth E], B [auth F], C [auth G], D [auth A], E [auth B]	MemProtMD	Annotated as membrane protein by MemProtMD

Membrane Protein Annotation: mpstruc mpstruc Database Homepage

Chains	Resource Link	Group	Subgroup	Protein
A [auth E], B [auth F], C [auth G], D [auth A], E [auth B]	mpstruc	TRANSMEMBRANE PROTEINS: ALPHA-HELICAL	ATP Binding Cassette (ABC) Transporters	MalFGK₂-MBP Maltose uptake transporter complex with bound MgAMPPNP