1GU1

Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid

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
Structure Motif: Primary M-CSA Annotation

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d1gu1a_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
C	d1gu1c_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
D	d1gu1d_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
G	d1gu1g_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
H	d1gu1h_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
I	d1gu1i_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
B	d1gu1b_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
E	d1gu1e_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
F	d1gu1f_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
J	d1gu1j_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
K	d1gu1k_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)
L	d1gu1l_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	(Streptomyces coelicolor ) [TaxId: 1902 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	Type II 3-dehydroquinate dehydratase	8026684	4003733	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2 (2022-06-29)
C	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
I	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
J	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
K	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	SCOP2B (2022-06-29)
L	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8039063	3001380	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	PF01220	e1gu1A1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
C	PF01220	e1gu1C1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
D	PF01220	e1gu1D1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
G	PF01220	e1gu1G1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
H	PF01220	e1gu1H1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
I	PF01220	e1gu1I1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
B	PF01220	e1gu1B1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
E	PF01220	e1gu1E1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
F	PF01220	e1gu1F1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
J	PF01220	e1gu1J1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
K	PF01220	e1gu1K1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)
L	PF01220	e1gu1L1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: PF01220	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
C	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
D	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
G	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
H	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
I	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
B	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
E	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
F	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
J	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
K	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
L	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	PF01220	Dehydroquinase class II (DHquinase_II)	Dehydroquinase class II	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	3-DEHYDROQUINATE DEHYDRATASE	hydro-lyase activity lyase activity catalytic activity carbon-oxygen lyase activity 3-dehydroquinate dehydratase activity	amino acid biosynthetic process organic substance metabolic process biosynthetic process organic substance biosynthetic process metabolic process amino acid metabolic process primary metabolic process catabolic process oxoacid metabolic process quinate catabolic process quinate metabolic process cellular metabolic process carboxylic acid metabolic process organic acid metabolic process amino acid biosynthetic process organic substance metabolic process biosynthetic process organic substance biosynthetic process metabolic process amino acid metabolic process primary metabolic process catabolic process oxoacid metabolic process quinate catabolic process quinate metabolic process cellular metabolic process carboxylic acid metabolic process organic acid metabolic process organic acid catabolic process cellular catabolic process monocarboxylic acid catabolic process carboxylic acid catabolic process small molecule metabolic process cellular process monocarboxylic acid metabolic process small molecule catabolic process organic substance catabolic process small molecule biosynthetic process cellular biosynthetic process dicarboxylic acid metabolic process organic acid biosynthetic process carboxylic acid biosynthetic process chorismate metabolic process chorismate biosynthetic process dicarboxylic acid biosynthetic 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	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR036441	Dehydroquinase, class II superfamily	Homologous Superfamily
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR001874	Dehydroquinase, class II	Family
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR018509	Dehydroquinase, class II, conserved site	Conserved Site

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

Chains	Enzyme Name	Description	Catalytic Residues
A	3-dehydroquinate dehydratase (type II) M-CSA #55	3-Dehydroquinate dehydratase catalyses the dehydration of 3-dehydroquinate to 3-dehydroshikimate. This reaction is part of both the biosynthetic shikimate pathway for organic compound synthesis and the catabolic quinate pathway using quinate as an energy and carbon source. These pathways are both absent in animals. Type I and type II dehydroquinases exist, with completely different mechanisms and sequences, and this enzyme in question is part of the latter class. The existence of two types allows the targeting of drugs for type II to be developed.	Defined by 9 residues: PRO:A-15ASN:A-16ARG:A-23TYR:A-28ASN:A-79ALA:A-82GLU:A-104HIS:A-106ARG:A-113 \| Explore in 3D: M-CSA Motif Definition Search M-CSA Motif EC: 4.2.1.10 (PDB Primary Data) Search M-CSA Motif + EC 4.2.1.10

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 R01GM133198.