1JVS

Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase; a target enzyme for antimalarial drugs

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	d1jvsa1	All alpha proteins	Left-handed superhelix	1-deoxy-D-xylulose-5-phosphate reductoisomerase, C-terminal domain	1-deoxy-D-xylulose-5-phosphate reductoisomerase, C-terminal domain	1-deoxy-D-xylulose-5-phosphate reductoisomerase, C-terminal domain	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
A	d1jvsa2	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Glyceraldehyde-3-phosphate dehydrogenase-like, N-terminal domain	1-deoxy-D-xylulose-5-phosphate reductoisomerase	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
A	d1jvsa3	Alpha and beta proteins (a+b)	FwdE/GAPDH domain-like	Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain	Dihydrodipicolinate reductase-like	1-deoxy-D-xylulose-5-phosphate reductoisomerase	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
A	d1jvsa5	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
A	d1jvsa4	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
B	d1jvsb1	All alpha proteins	Left-handed superhelix	1-deoxy-D-xylulose-5-phosphate reductoisomerase, C-terminal domain	1-deoxy-D-xylulose-5-phosphate reductoisomerase, C-terminal domain	1-deoxy-D-xylulose-5-phosphate reductoisomerase, C-terminal domain	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
B	d1jvsb2	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Glyceraldehyde-3-phosphate dehydrogenase-like, N-terminal domain	1-deoxy-D-xylulose-5-phosphate reductoisomerase	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
B	d1jvsb3	Alpha and beta proteins (a+b)	FwdE/GAPDH domain-like	Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain	Dihydrodipicolinate reductase-like	1-deoxy-D-xylulose-5-phosphate reductoisomerase	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)
B	d1jvsb4	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Escherichia coli ) [TaxId: 562 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	GAPDH-like	8000978	3000043	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	DXP reductoisomerase C-terminal domain-like	8056156	3000022	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	DXP reductoisomerase C-terminal domain-like	8056156	3000022	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	GAPDH-like	8000978	3000043	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	DXPR_C	e1jvsA3	A: alpha superhelices	X: 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C (From Topology)	H: 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C (From Topology)	T: 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C	F: DXPR_C	ECOD (1.6)
A	DXP_redisom_C	e1jvsA1	A: a+b two layers	X: FwdE/GAPDH domain-like	H: Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain (From Topology)	T: Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain	F: DXP_redisom_C	ECOD (1.6)
A	DXP_reductoisom	e1jvsA2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: DXP_reductoisom	ECOD (1.6)
B	DXPR_C	e1jvsB3	A: alpha superhelices	X: 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C (From Topology)	H: 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C (From Topology)	T: 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C	F: DXPR_C	ECOD (1.6)
B	DXP_redisom_C	e1jvsB1	A: a+b two layers	X: FwdE/GAPDH domain-like	H: Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain (From Topology)	T: Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain	F: DXP_redisom_C	ECOD (1.6)
B	DXP_reductoisom	e1jvsB2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: DXP_reductoisom	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
A	1.10.1740.10	Mainly Alpha	Orthogonal Bundle	Rna Polymerase Sigma Factor	Chain: A	CATH (4.3.0)
B	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
B	1.10.1740.10	Mainly Alpha	Orthogonal Bundle	Rna Polymerase Sigma Factor	Chain: A	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF02670	1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXP_reductoisom)	1-deoxy-D-xylulose 5-phosphate reductoisomerase	-	Family
A, B	PF13288	DXP reductoisomerase C-terminal domain (DXPR_C)	DXP reductoisomerase C-terminal domain	This is the C-terminal domain of the 1-deoxy-D-xylulose-5-phosphate reductoisomerase enzyme. This domain forms a left handed super-helix.	Domain
A, B	PF08436	1-deoxy-D-xylulose 5-phosphate reductoisomerase C-terminal domain (DXP_redisom_C)	1-deoxy-D-xylulose 5-phosphate reductoisomerase C-terminal domain	This domain is found to the C-terminus of Pfam:PF02670 domains in bacterial and plant 1-deoxy-D-xylulose 5-phosphate reductoisomerases which catalyse the formation of 2-C-methyl-D-erythritol 4-phosphate from 1-deoxy-D-xylulose-5-phosphate in the pres ...	This domain is found to the C-terminus of Pfam:PF02670 domains in bacterial and plant 1-deoxy-D-xylulose 5-phosphate reductoisomerases which catalyse the formation of 2-C-methyl-D-erythritol 4-phosphate from 1-deoxy-D-xylulose-5-phosphate in the presence of NADPH [1].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	1-deoxy-D-xylulose 5-phosphate reductoisomerase	binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding NADPH binding NADP binding small molecule binding 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity oxidoreductase activity binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding NADPH binding NADP binding small molecule binding 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor oxidoreductase activity, acting on CH-OH group of donors catalytic activity cation binding manganese ion binding transition metal ion binding metal ion binding identical protein binding protein binding	isoprenoid biosynthetic process isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway isopentenyl diphosphate biosynthetic process lipid biosynthetic process carbohydrate derivative metabolic process primary metabolic process glyceraldehyde-3-phosphate metabolic process phospholipid biosynthetic process aldehyde metabolic process phospholipid metabolic process biosynthetic process organophosphate metabolic process organophosphate biosynthetic process phosphate-containing compound metabolic process isoprenoid biosynthetic process isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway isopentenyl diphosphate biosynthetic process lipid biosynthetic process carbohydrate derivative metabolic process primary metabolic process glyceraldehyde-3-phosphate metabolic process phospholipid biosynthetic process aldehyde metabolic process phospholipid metabolic process biosynthetic process organophosphate metabolic process organophosphate biosynthetic process phosphate-containing compound metabolic process metabolic process cellular process phosphorus metabolic process lipid metabolic process isoprenoid metabolic process isopentenyl diphosphate metabolic process terpenoid biosynthetic process terpenoid biosynthetic process, mevalonate-independent isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process terpenoid metabolic process	protein-containing complex Dxr protein complex

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR026877	DXP reductoisomerase, C-terminal domain	Domain
A, B	IPR003821	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Family
A, B	IPR036169	DXP reductoisomerase, C-terminal domain superfamily	Homologous Superfamily
A, B	IPR013644	1-deoxy-D-xylulose 5-phosphate reductoisomerase, C-terminal	Domain
A, B	IPR036291	NAD(P)-binding domain superfamily	Homologous Superfamily
A, B	IPR013512	1-deoxy-D-xylulose 5-phosphate reductoisomerase, N-terminal	Domain

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.