1NVE

Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
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	d1nvea_	Multi-domain proteins (alpha and beta)	Dehydroquinate synthase-like	Dehydroquinate synthase-like	Dehydroquinate synthase, DHQS	Dehydroquinate synthase, DHQS	(Aspergillus nidulans ) [TaxId: 162425 ],	SCOPe (2.08)
B	d1nveb_	Multi-domain proteins (alpha and beta)	Dehydroquinate synthase-like	Dehydroquinate synthase-like	Dehydroquinate synthase, DHQS	Dehydroquinate synthase, DHQS	(Aspergillus nidulans ) [TaxId: 162425 ],	SCOPe (2.08)
C	d1nvec_	Multi-domain proteins (alpha and beta)	Dehydroquinate synthase-like	Dehydroquinate synthase-like	Dehydroquinate synthase, DHQS	Dehydroquinate synthase, DHQS	(Aspergillus nidulans ) [TaxId: 162425 ],	SCOPe (2.08)
D	d1nved_	Multi-domain proteins (alpha and beta)	Dehydroquinate synthase-like	Dehydroquinate synthase-like	Dehydroquinate synthase, DHQS	Dehydroquinate synthase, DHQS	(Aspergillus nidulans ) [TaxId: 162425 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Dehydroquinate synthase-like	8033557	3001905	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Dehydroquinate synthase-like	8033557	3001905	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Dehydroquinate synthase-like	8033557	3001905	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Dehydroquinate synthase-like	8033557	3001905	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	PF01761	e1nveA1	A: alpha bundles	X: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	H: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	T: alpha-helical domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
A	PF01761	e1nveA2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Rossmann-like domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
B	PF01761	e1nveB1	A: alpha bundles	X: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	H: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	T: alpha-helical domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
B	PF01761	e1nveB2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Rossmann-like domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
C	PF01761	e1nveC1	A: alpha bundles	X: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	H: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	T: alpha-helical domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
C	PF01761	e1nveC2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Rossmann-like domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
D	PF01761	e1nveD1	A: alpha bundles	X: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	H: alpha-helical domain in dehydroquinate synthase-like enzymes (From Topology)	T: alpha-helical domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)
D	PF01761	e1nveD2	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Rossmann-like domain in dehydroquinate synthase-like enzymes	F: PF01761	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.1970	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
A	1.20.1090.10	Mainly Alpha	Up-down Bundle	Dehydroquinate synthase-like, alpha domain	Dehydroquinate synthase-like - alpha domain	CATH (4.3.0)
B	3.40.50.1970	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
B	1.20.1090.10	Mainly Alpha	Up-down Bundle	Dehydroquinate synthase-like, alpha domain	Dehydroquinate synthase-like - alpha domain	CATH (4.3.0)
C	3.40.50.1970	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
C	1.20.1090.10	Mainly Alpha	Up-down Bundle	Dehydroquinate synthase-like, alpha domain	Dehydroquinate synthase-like - alpha domain	CATH (4.3.0)
D	3.40.50.1970	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
D	1.20.1090.10	Mainly Alpha	Up-down Bundle	Dehydroquinate synthase-like, alpha domain	Dehydroquinate synthase-like - alpha domain	CATH (4.3.0)

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	3-DEHYDROQUINATE SYNTHASE	kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor shikimate kinase activity transferase activity, transferring phosphorus-containing groups carbon-oxygen lyase activity, acting on phosphates lyase activity carbon-oxygen lyase activity 3-dehydroquinate synthase activity 3-phosphoshikimate 1-carboxyvinyltransferase activity transferase activity, transferring alkyl or aryl (other than methyl) groups binding adenyl ribonucleotide binding kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor shikimate kinase activity transferase activity, transferring phosphorus-containing groups carbon-oxygen lyase activity, acting on phosphates lyase activity carbon-oxygen lyase activity 3-dehydroquinate synthase activity 3-phosphoshikimate 1-carboxyvinyltransferase activity transferase activity, transferring alkyl or aryl (other than methyl) groups 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 hydro-lyase activity 3-dehydroquinate dehydratase 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 shikimate 3-dehydrogenase (NADP+) activity cation binding metal ion binding	small molecule biosynthetic process oxoacid metabolic process cellular biosynthetic process cellular metabolic process dicarboxylic acid metabolic process carboxylic acid metabolic process organic acid biosynthetic process organic acid metabolic process carboxylic acid biosynthetic process chorismate metabolic process organic substance metabolic process biosynthetic process organic substance biosynthetic process chorismate biosynthetic process small molecule biosynthetic process oxoacid metabolic process cellular biosynthetic process cellular metabolic process dicarboxylic acid metabolic process carboxylic acid metabolic process organic acid biosynthetic process organic acid metabolic process carboxylic acid biosynthetic process chorismate metabolic process organic substance metabolic process biosynthetic process organic substance biosynthetic process chorismate biosynthetic process small molecule metabolic process metabolic process cellular process dicarboxylic acid biosynthetic process amino acid biosynthetic process amino acid metabolic process primary metabolic process organonitrogen compound metabolic process aromatic amino acid family biosynthetic process aromatic amino acid metabolic process organonitrogen compound biosynthetic process organic cyclic compound metabolic process organic cyclic compound biosynthetic process phosphorylation phosphate-containing compound metabolic process phosphorus metabolic process	intracellular anatomical structure cytoplasm cellular anatomical entity

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR018508	3-dehydroquinate dehydratase, active site	Active Site
A, B, C, D	IPR046346	Aminoacid dehydrogenase-like, N-terminal domain superfamily	Homologous Superfamily
A, B, C, D	IPR008289	Pentafunctional AroM protein	Family
A, B, C, D	IPR013785	Aldolase-type TIM barrel	Homologous Superfamily
A, B, C, D	IPR036968	Enolpyruvate transferase domain superfamily	Homologous Superfamily
A, B, C, D	IPR030960	3-dehydroquinate synthase domain	Domain
A, B, C, D	IPR013792	RNA 3'-terminal phosphate cyclase/enolpyruvate transferase, alpha/beta	Homologous Superfamily
A, B, C, D	IPR001381	3-dehydroquinate dehydratase type I	Family
A, B, C, D	IPR031322	Shikimate kinase/gluconokinase	Family
A, B, C, D	IPR023000	Shikimate kinase, conserved site	Conserved Site
A, B, C, D	IPR041121	SDH, C-terminal	Domain
A, B, C, D	IPR023193	3-phosphoshikimate 1-carboxyvinyltransferase, conserved site	Conserved Site
A, B, C, D	IPR027417	P-loop containing nucleoside triphosphate hydrolase	Homologous Superfamily
A, B, C, D	IPR001986	Enolpyruvate transferase domain	Domain
A, B, C, D	IPR010110	Shikimate dehydrogenase, AroM-type	Domain
A, B, C, D	IPR016037	3-dehydroquinate synthase AroB	Domain
A, B, C, D	IPR036291	NAD(P)-binding domain superfamily	Homologous Superfamily
A, B, C, D	IPR000623	Shikimate kinase/Threonine synthase-like 1	Family
A, B, C, D	IPR006264	3-phosphoshikimate 1-carboxyvinyltransferase	Family
A, B, C, D	IPR013708	Shikimate dehydrogenase substrate binding, N-terminal	Domain