3N86

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4

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	d3n86a_	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	d3n86b_	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	d3n86c_	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	d3n86d_	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	d3n86e_	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	d3n86f_	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	d3n86g_	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	d3n86h_	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	d3n86i_	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	d3n86j_	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	d3n86k_	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	d3n86l_	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	d3n86m_	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	d3n86n_	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	d3n86o_	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	d3n86p_	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	d3n86q_	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	d3n86r_	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	d3n86s_	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	d3n86t_	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	d3n86u_	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	d3n86v_	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	d3n86w_	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	d3n86x_	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)
F	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)
H	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)
K	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)
V	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)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	PF01220	e3n86A1	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	e3n86B1	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	e3n86C1	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	e3n86D1	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	e3n86E1	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	e3n86F1	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	e3n86G1	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	e3n86H1	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	e3n86I1	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	e3n86J1	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	e3n86K1	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	e3n86L1	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)
M	PF01220	e3n86M1	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)
N	PF01220	e3n86N1	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)
O	PF01220	e3n86O1	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)
P	PF01220	e3n86P1	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)
Q	PF01220	e3n86Q1	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)
R	PF01220	e3n86R1	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)
S	PF01220	e3n86S1	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)
T	PF01220	e3n86T1	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)
U	PF01220	e3n86U1	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)
V	PF01220	e3n86V1	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)
W	PF01220	e3n86W1	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)
X	PF01220	e3n86X1	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)
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)
F	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)
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)
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)
V	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)

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

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3N86

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4

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