3N7A

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2

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	d3n7aa_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
B	d3n7ab_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
C	d3n7ac_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
D	d3n7ad_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
E	d3n7ae_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
G	d3n7ag_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
I	d3n7ai_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
J	d3n7aj_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
L	d3n7al_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
M	d3n7am_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
N	d3n7an_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
O	d3n7ao_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
P	d3n7ap_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
Q	d3n7aq_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
R	d3n7ar_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
S	d3n7as_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
T	d3n7at_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
U	d3n7au_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
W	d3n7aw_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
X	d3n7ax_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
F	d3n7af_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
H	d3n7ah_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
K	d3n7ak_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)
V	d3n7av_	Alpha and beta proteins (a/b)	Flavodoxin-like	Type II 3-dehydroquinate dehydratase	Type II 3-dehydroquinate dehydratase	automated matches	(Mycobacterium tuberculosis ) [TaxId: 1773 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
I	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
J	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
L	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
M	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
N	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
O	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
P	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
Q	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
R	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
S	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
T	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
U	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
W	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
X	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
K	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	3001380	SCOP2B (2022-06-29)
V	SCOP2B Superfamily	Type II 3-dehydroquinate dehydratase	8035770	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	DHquinase_II	e3n7aA1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
B	DHquinase_II	e3n7aB1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
C	DHquinase_II	e3n7aC1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
D	DHquinase_II	e3n7aD1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
E	DHquinase_II	e3n7aE1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
G	DHquinase_II	e3n7aG1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
I	DHquinase_II	e3n7aI1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
J	DHquinase_II	e3n7aJ1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
L	DHquinase_II	e3n7aL1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
M	DHquinase_II	e3n7aM1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
N	DHquinase_II	e3n7aN1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
O	DHquinase_II	e3n7aO1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
P	DHquinase_II	e3n7aP1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
Q	DHquinase_II	e3n7aQ1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
R	DHquinase_II	e3n7aR1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
S	DHquinase_II	e3n7aS1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
T	DHquinase_II	e3n7aT1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
U	DHquinase_II	e3n7aU1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
W	DHquinase_II	e3n7aW1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
X	DHquinase_II	e3n7aX1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
F	DHquinase_II	e3n7aF1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
H	DHquinase_II	e3n7aH1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
K	DHquinase_II	e3n7aK1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	ECOD (1.6)
V	DHquinase_II	e3n7aV1	A: a/b three-layered sandwiches	X: Flavodoxin-like	H: Class I glutamine amidotransferase-like	T: Type II 3-dehydroquinate dehydratase	F: DHquinase_II	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)
B	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)
E	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)
I	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)
L	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
M	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
N	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
O	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
P	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
Q	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
R	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
S	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
T	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
U	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
W	3.40.50.9100	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Dehydroquinase, class II	CATH (4.3.0)
X	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)
H	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)
V	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, M, N, O, P, Q, R, S, T, U, V, W, X	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, M, N, O, P, Q, R, S, T, U, V, W, X	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	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol

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, M, N, O, P, Q, R, S, T, U, V, W, X	IPR036441	Dehydroquinase, class II superfamily	Homologous Superfamily
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X	IPR001874	Dehydroquinase, class II	Family
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X	IPR018509	Dehydroquinase, class II, conserved site	Conserved Site

Prepare Data

Validate Data

Deposit Data

Help and Resources

3N7A

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2

External Resource: Annotation

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

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Domain Annotation: ECOD Classification ECOD Database Homepage

Domain Annotation: CATH CATH Database Homepage

Protein Family Annotation Pfam Database Homepage

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

InterPro: Protein Family Classification InterPro Database Homepage