Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3N8N

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003855	molecular_function	3-dehydroquinate dehydratase activity
A	0005829	cellular_component	cytosol
A	0008652	biological_process	amino acid biosynthetic process
A	0009073	biological_process	aromatic amino acid family biosynthetic process
A	0009423	biological_process	chorismate biosynthetic process
A	0016829	molecular_function	lyase activity
A	0019631	biological_process	quinate catabolic process
B	0003855	molecular_function	3-dehydroquinate dehydratase activity
B	0005829	cellular_component	cytosol
B	0008652	biological_process	amino acid biosynthetic process
B	0009073	biological_process	aromatic amino acid family biosynthetic process
B	0009423	biological_process	chorismate biosynthetic process
B	0016829	molecular_function	lyase activity
B	0019631	biological_process	quinate catabolic process
C	0003855	molecular_function	3-dehydroquinate dehydratase activity
C	0005829	cellular_component	cytosol
C	0008652	biological_process	amino acid biosynthetic process
C	0009073	biological_process	aromatic amino acid family biosynthetic process
C	0009423	biological_process	chorismate biosynthetic process
C	0016829	molecular_function	lyase activity
C	0019631	biological_process	quinate catabolic process
D	0003855	molecular_function	3-dehydroquinate dehydratase activity
D	0005829	cellular_component	cytosol
D	0008652	biological_process	amino acid biosynthetic process
D	0009073	biological_process	aromatic amino acid family biosynthetic process
D	0009423	biological_process	chorismate biosynthetic process
D	0016829	molecular_function	lyase activity
D	0019631	biological_process	quinate catabolic process
E	0003855	molecular_function	3-dehydroquinate dehydratase activity
E	0005829	cellular_component	cytosol
E	0008652	biological_process	amino acid biosynthetic process
E	0009073	biological_process	aromatic amino acid family biosynthetic process
E	0009423	biological_process	chorismate biosynthetic process
E	0016829	molecular_function	lyase activity
E	0019631	biological_process	quinate catabolic process
F	0003855	molecular_function	3-dehydroquinate dehydratase activity
F	0005829	cellular_component	cytosol
F	0008652	biological_process	amino acid biosynthetic process
F	0009073	biological_process	aromatic amino acid family biosynthetic process
F	0009423	biological_process	chorismate biosynthetic process
F	0016829	molecular_function	lyase activity
F	0019631	biological_process	quinate catabolic process
G	0003855	molecular_function	3-dehydroquinate dehydratase activity
G	0005829	cellular_component	cytosol
G	0008652	biological_process	amino acid biosynthetic process
G	0009073	biological_process	aromatic amino acid family biosynthetic process
G	0009423	biological_process	chorismate biosynthetic process
G	0016829	molecular_function	lyase activity
G	0019631	biological_process	quinate catabolic process
H	0003855	molecular_function	3-dehydroquinate dehydratase activity
H	0005829	cellular_component	cytosol
H	0008652	biological_process	amino acid biosynthetic process
H	0009073	biological_process	aromatic amino acid family biosynthetic process
H	0009423	biological_process	chorismate biosynthetic process
H	0016829	molecular_function	lyase activity
H	0019631	biological_process	quinate catabolic process
I	0003855	molecular_function	3-dehydroquinate dehydratase activity
I	0005829	cellular_component	cytosol
I	0008652	biological_process	amino acid biosynthetic process
I	0009073	biological_process	aromatic amino acid family biosynthetic process
I	0009423	biological_process	chorismate biosynthetic process
I	0016829	molecular_function	lyase activity
I	0019631	biological_process	quinate catabolic process
J	0003855	molecular_function	3-dehydroquinate dehydratase activity
J	0005829	cellular_component	cytosol
J	0008652	biological_process	amino acid biosynthetic process
J	0009073	biological_process	aromatic amino acid family biosynthetic process
J	0009423	biological_process	chorismate biosynthetic process
J	0016829	molecular_function	lyase activity
J	0019631	biological_process	quinate catabolic process
K	0003855	molecular_function	3-dehydroquinate dehydratase activity
K	0005829	cellular_component	cytosol
K	0008652	biological_process	amino acid biosynthetic process
K	0009073	biological_process	aromatic amino acid family biosynthetic process
K	0009423	biological_process	chorismate biosynthetic process
K	0016829	molecular_function	lyase activity
K	0019631	biological_process	quinate catabolic process
L	0003855	molecular_function	3-dehydroquinate dehydratase activity
L	0005829	cellular_component	cytosol
L	0008652	biological_process	amino acid biosynthetic process
L	0009073	biological_process	aromatic amino acid family biosynthetic process
L	0009423	biological_process	chorismate biosynthetic process
L	0016829	molecular_function	lyase activity
L	0019631	biological_process	quinate catabolic process
M	0003855	molecular_function	3-dehydroquinate dehydratase activity
M	0005829	cellular_component	cytosol
M	0008652	biological_process	amino acid biosynthetic process
M	0009073	biological_process	aromatic amino acid family biosynthetic process
M	0009423	biological_process	chorismate biosynthetic process
M	0016829	molecular_function	lyase activity
M	0019631	biological_process	quinate catabolic process
N	0003855	molecular_function	3-dehydroquinate dehydratase activity
N	0005829	cellular_component	cytosol
N	0008652	biological_process	amino acid biosynthetic process
N	0009073	biological_process	aromatic amino acid family biosynthetic process
N	0009423	biological_process	chorismate biosynthetic process
N	0016829	molecular_function	lyase activity
N	0019631	biological_process	quinate catabolic process
O	0003855	molecular_function	3-dehydroquinate dehydratase activity
O	0005829	cellular_component	cytosol
O	0008652	biological_process	amino acid biosynthetic process
O	0009073	biological_process	aromatic amino acid family biosynthetic process
O	0009423	biological_process	chorismate biosynthetic process
O	0016829	molecular_function	lyase activity
O	0019631	biological_process	quinate catabolic process
P	0003855	molecular_function	3-dehydroquinate dehydratase activity
P	0005829	cellular_component	cytosol
P	0008652	biological_process	amino acid biosynthetic process
P	0009073	biological_process	aromatic amino acid family biosynthetic process
P	0009423	biological_process	chorismate biosynthetic process
P	0016829	molecular_function	lyase activity
P	0019631	biological_process	quinate catabolic process
Q	0003855	molecular_function	3-dehydroquinate dehydratase activity
Q	0005829	cellular_component	cytosol
Q	0008652	biological_process	amino acid biosynthetic process
Q	0009073	biological_process	aromatic amino acid family biosynthetic process
Q	0009423	biological_process	chorismate biosynthetic process
Q	0016829	molecular_function	lyase activity
Q	0019631	biological_process	quinate catabolic process
R	0003855	molecular_function	3-dehydroquinate dehydratase activity
R	0005829	cellular_component	cytosol
R	0008652	biological_process	amino acid biosynthetic process
R	0009073	biological_process	aromatic amino acid family biosynthetic process
R	0009423	biological_process	chorismate biosynthetic process
R	0016829	molecular_function	lyase activity
R	0019631	biological_process	quinate catabolic process
S	0003855	molecular_function	3-dehydroquinate dehydratase activity
S	0005829	cellular_component	cytosol
S	0008652	biological_process	amino acid biosynthetic process
S	0009073	biological_process	aromatic amino acid family biosynthetic process
S	0009423	biological_process	chorismate biosynthetic process
S	0016829	molecular_function	lyase activity
S	0019631	biological_process	quinate catabolic process
T	0003855	molecular_function	3-dehydroquinate dehydratase activity
T	0005829	cellular_component	cytosol
T	0008652	biological_process	amino acid biosynthetic process
T	0009073	biological_process	aromatic amino acid family biosynthetic process
T	0009423	biological_process	chorismate biosynthetic process
T	0016829	molecular_function	lyase activity
T	0019631	biological_process	quinate catabolic process
U	0003855	molecular_function	3-dehydroquinate dehydratase activity
U	0005829	cellular_component	cytosol
U	0008652	biological_process	amino acid biosynthetic process
U	0009073	biological_process	aromatic amino acid family biosynthetic process
U	0009423	biological_process	chorismate biosynthetic process
U	0016829	molecular_function	lyase activity
U	0019631	biological_process	quinate catabolic process
V	0003855	molecular_function	3-dehydroquinate dehydratase activity
V	0005829	cellular_component	cytosol
V	0008652	biological_process	amino acid biosynthetic process
V	0009073	biological_process	aromatic amino acid family biosynthetic process
V	0009423	biological_process	chorismate biosynthetic process
V	0016829	molecular_function	lyase activity
V	0019631	biological_process	quinate catabolic process
W	0003855	molecular_function	3-dehydroquinate dehydratase activity
W	0005829	cellular_component	cytosol
W	0008652	biological_process	amino acid biosynthetic process
W	0009073	biological_process	aromatic amino acid family biosynthetic process
W	0009423	biological_process	chorismate biosynthetic process
W	0016829	molecular_function	lyase activity
W	0019631	biological_process	quinate catabolic process
X	0003855	molecular_function	3-dehydroquinate dehydratase activity
X	0005829	cellular_component	cytosol
X	0008652	biological_process	amino acid biosynthetic process
X	0009073	biological_process	aromatic amino acid family biosynthetic process
X	0009423	biological_process	chorismate biosynthetic process
X	0016829	molecular_function	lyase activity
X	0019631	biological_process	quinate catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE N88 A 147

Chain	Residue
A	ASN75
L	ASP88
A	GLY77
A	GLY78
A	HIS81
A	HIS101
A	ILE102
A	SER103
A	ARG112
A	HOH578

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE N88 B 147

Chain	Residue
B	ASN12
B	ASN75
B	GLY77
B	GLY78
B	HIS81
B	HIS101
B	ILE102
B	SER103
B	ARG112
B	HOH690
E	ASP88

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE N88 C 147

Chain	Residue
B	ALA85
B	ASP88
C	PRO11
C	ASN12
C	ASN75
C	GLY77
C	GLY78
C	HIS81
C	HIS101
C	ILE102
C	SER103
C	VAL105
C	ARG112
C	HOH648
C	HOH1534
C	HOH1544

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE N88 D 147

Chain	Residue
D	PRO11
D	ASN12
D	ASN75
D	GLY77
D	GLY78
D	HIS81
D	HIS101
D	ILE102
D	SER103
D	VAL105
D	ARG112
G	ALA85
G	ASP88

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE N88 E 147

Chain	Residue
C	ASP88
E	ASN12
E	ASN75
E	GLY77
E	GLY78
E	HIS81
E	HIS101
E	ILE102
E	SER103
E	ARG112

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE N88 F 147

Chain	Residue
D	ASP88
F	ASN12
F	ASN75
F	GLY77
F	GLY78
F	HIS81
F	HIS101
F	ILE102
F	SER103
F	ARG112
F	HOH401
F	HOH1509

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE N88 G 147

Chain	Residue
F	ASP88
G	ASN12
G	LEU13
G	ASN75
G	GLY77
G	GLY78
G	HIS81
G	HIS101
G	ILE102
G	SER103
G	ARG112

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE N88 I 147

Chain	Residue
H	ASP88
I	ASN12
I	ASN75
I	GLY77
I	GLY78
I	HIS81
I	HIS101
I	ILE102
I	SER103
I	VAL105
I	ARG112

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE N88 J 147

Chain	Residue
J	HIS81
J	HIS101
J	ILE102
J	SER103
J	ARG112
J	HOH1465
I	ASP88
J	ASN12
J	ASN75
J	GLY77
J	GLY78

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE N88 K 147

Chain	Residue
A	ASP88
K	ASN12
K	ASN75
K	GLY77
K	GLY78
K	HIS81
K	HIS101
K	ILE102
K	SER103
K	ARG112
K	HOH864
K	HOH1219

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE N88 L 147

Chain	Residue
K	ASP88
L	ASN12
L	ASN75
L	GLY77
L	GLY78
L	HIS81
L	HIS101
L	ILE102
L	SER103
L	ARG112
L	HOH622

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE N88 T 147

Chain	Residue
T	ASN12
T	ASN75
T	GLY77
T	GLY78
T	HIS81
T	HIS101
T	ILE102
T	SER103
T	ARG112
V	ASP88

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE N88 U 147

Chain	Residue
T	ASP88
U	ASN12
U	ASN75
U	GLY77
U	GLY78
U	HIS81
U	HIS101
U	ILE102
U	SER103
U	ARG108
U	ARG112
U	HOH667

site_id	BC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE N88 V 147

Chain	Residue
U	ASP88
V	ASN12
V	LEU13
V	TYR24
V	ASN75
V	GLY77
V	GLY78
V	HIS81
V	HIS101
V	ILE102
V	SER103
V	VAL105
V	ARG112
V	HOH698

Functional Information from PROSITE/UniProt

site_id	PS01029
Number of Residues	18
Details	DEHYDROQUINASE_II Dehydroquinase class II signature. INGPNLgrLGrREpavYG

Chain	Residue	Details
A	ILE8-GLY25

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	120
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	20
Details	Site: {"description":"Transition state stabilizer"}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	11
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)